N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide

C98H120Br6F9N25O24S6 — CID 172923362

IUPACN-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.CN(C)S(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.NCCCNS(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CCC1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)NCC(F)F.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)NCCF
InChIInChI=1S/C17H23BrFN5O4S.C17H20BrFN4O4S.C16H18BrF3N4O4S.C16H19BrF2N4O4S.2C16H20BrFN4O4S/c18-13-10-12(5-6-14(13)19)11-16(22-25)17-15(23-28-24-17)4-1-2-9-29(26,27)21-8-3-7-20;18-13-10-12(5-6-14(13)19)11-16(20-24)17-15(21-27-22-17)4-1-2-9-28(25,26)23-7-3-8-23;17-11-7-10(4-5-12(11)18)8-14(22-25)16-13(23-28-24-16)3-1-2-6-29(26,27)21-9-15(19)20;17-12-9-11(4-5-13(12)19)10-15(21-24)16-14(22-27-23-16)3-1-2-8-28(25,26)20-7-6-18;1-22(2)27(24,25)8-4-3-5-14-16(21-26-20-14)15(19-23)10-11-6-7-13(18)12(17)9-11;1-2-19-27(24,25)8-4-3-5-14-16(22-26-21-14)15(20-23)10-11-6-7-13(18)12(17)9-11/h5-6,10,21,25H,1-4,7-9,11,20H2;5-6,10,24H,1-4,7-9,11H2;4-5,7,15,21,25H,1-3,6,8-9H2;4-5,9,20,24H,1-3,6-8,10H2;6-7,9,23H,3-5,8,10H2,1-2H3;6-7,9,19,23H,2-5,8,10H2,1H3/b22-16+;20-16+;22-14+;21-15+;19-15+;20-15+
InChIKeyKIKGHANOOWHYMF-TYBIECOQSA-N
MW2875.00 g/mol
LogP15.50
Rot. Bonds62

About N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide

N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide (PubChem CID 172923362) has the molecular formula C98H120Br6F9N25O24S6 and a molecular weight of 2875.00 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide
PubChem CID172923362
Molecular FormulaC98H120Br6F9N25O24S6
Molecular Weight2875.00 g/mol
Exact Mass2867.22
IUPAC NameN-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.CN(C)S(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.NCCCNS(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CCC1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)NCC(F)F.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)NCCF
InChIInChI=1S/C17H23BrFN5O4S.C17H20BrFN4O4S.C16H18BrF3N4O4S.C16H19BrF2N4O4S.2C16H20BrFN4O4S/c18-13-10-12(5-6-14(13)19)11-16(22-25)17-15(23-28-24-17)4-1-2-9-29(26,27)21-8-3-7-20;18-13-10-12(5-6-14(13)19)11-16(20-24)17-15(21-27-22-17)4-1-2-9-28(25,26)23-7-3-8-23;17-11-7-10(4-5-12(11)18)8-14(22-25)16-13(23-28-24-16)3-1-2-6-29(26,27)21-9-15(19)20;17-12-9-11(4-5-13(12)19)10-15(21-24)16-14(22-27-23-16)3-1-2-8-28(25,26)20-7-6-18;1-22(2)27(24,25)8-4-3-5-14-16(21-26-20-14)15(19-23)10-11-6-7-13(18)12(17)9-11;1-2-19-27(24,25)8-4-3-5-14-16(22-26-21-14)15(20-23)10-11-6-7-13(18)12(17)9-11/h5-6,10,21,25H,1-4,7-9,11,20H2;5-6,10,24H,1-4,7-9,11H2;4-5,7,15,21,25H,1-3,6,8-9H2;4-5,9,20,24H,1-3,6-8,10H2;6-7,9,23H,3-5,8,10H2,1-2H3;6-7,9,19,23H,2-5,8,10H2,1H3/b22-16+;20-16+;22-14+;21-15+;19-15+;20-15+
InChIKeyKIKGHANOOWHYMF-TYBIECOQSA-N
XLogP15.50
TPSA714.52 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds62
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002875.00
LogP ≤ 515.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide (CID 172923362) is N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide is CCNS(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.CN(C)S(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.NCCCNS(=O)(=O)CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)N1CCC1.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)NCC(F)F.O=S(=O)(CCCCc1nonc1/C(Cc1ccc(F)c(Br)c1)=N/O)NCCF.
What is the InChIKey of N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide?
The InChIKey is KIKGHANOOWHYMF-TYBIECOQSA-N. The full InChI is InChI=1S/C17H23BrFN5O4S.C17H20BrFN4O4S.C16H18BrF3N4O4S.C16H19BrF2N4O4S.2C16H20BrFN4O4S/c18-13-10-12(5-6-14(13)19)11-16(22-25)17-15(23-28-24-17)4-1-2-9-29(26,27)21-8-3-7-20;18-13-10-12(5-6-14(13)19)11-16(20-24)17-15(21-27-22-17)4-1-2-9-28(25,26)23-7-3-8-23;17-11-7-10(4-5-12(11)18)8-14(22-25)16-13(23-28-24-16)3-1-2-6-29(26,27)21-9-15(19)20;17-12-9-11(4-5-13(12)19)10-15(21-24)16-14(22-27-23-16)3-1-2-8-28(25,26)20-7-6-18;1-22(2)27(24,25)8-4-3-5-14-16(21-26-20-14)15(19-23)10-11-6-7-13(18)12(17)9-11;1-2-19-27(24,25)8-4-3-5-14-16(22-26-21-14)15(20-23)10-11-6-7-13(18)12(17)9-11/h5-6,10,21,25H,1-4,7-9,11,20H2;5-6,10,24H,1-4,7-9,11H2;4-5,7,15,21,25H,1-3,6,8-9H2;4-5,9,20,24H,1-3,6-8,10H2;6-7,9,23H,3-5,8,10H2,1-2H3;6-7,9,19,23H,2-5,8,10H2,1H3/b22-16+;20-16+;22-14+;21-15+;19-15+;20-15+.
What are the key properties of N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide?
N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide has a molecular weight of 2875.00 g/mol, XLogP of 15.50, 62 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]butane-1-sulfonamide;(NE)-N-[1-[4-[4-(azetidin-1-ylsulfonyl)butyl]-1,2,5-oxadiazol-3-yl]-2-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2,2-difluoroethyl)butane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N,N-dimethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-ethylbutane-1-sulfonamide;4-[4-[(E)-C-[(3-bromo-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-N-(2-fluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 172923362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).