N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide

C77H78BrClF10N8O16S4 — CID 158663938

IUPACN-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(CF)c1)c1cccc(S(=O)(=O)NC2CCC(O)CC2)c1.O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NC2CCCC(O)C2)c1.O=C(Nc1ccc(F)c(Br)c1)c1cccc(S(=O)(=O)NC2CCCC(O)C2)c1.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)NC2CCCCC2O)c1
InChIInChI=1S/C20H21F3N2O4S.C19H20BrFN2O4S.C19H19ClF2N2O4S.C19H18F4N2O4S/c21-11-13-8-15(10-18(22)19(13)23)24-20(27)12-2-1-3-17(9-12)30(28,29)25-14-4-6-16(26)7-5-14;20-17-11-13(7-8-18(17)21)22-19(25)12-3-1-6-16(9-12)28(26,27)23-14-4-2-5-15(24)10-14;20-13-10-12(6-8-14(13)21)23-19(26)11-5-7-15(22)18(9-11)29(27,28)24-16-3-1-2-4-17(16)25;20-14-5-4-10(19(27)24-12-8-15(21)18(23)16(22)9-12)6-17(14)30(28,29)25-11-2-1-3-13(26)7-11/h1-3,8-10,14,16,25-26H,4-7,11H2,(H,24,27);1,3,6-9,11,14-15,23-24H,2,4-5,10H2,(H,22,25);5-10,16-17,24-25H,1-4H2,(H,23,26);4-6,8-9,11,13,25-26H,1-3,7H2,(H,24,27)
InChIKeyIDCLYWJTMYDTGH-UHFFFAOYSA-N
MW1805.12 g/mol
LogP13.22
Rot. Bonds21

About N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide

N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 158663938) has the molecular formula C77H78BrClF10N8O16S4 and a molecular weight of 1805.12 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID158663938
Molecular FormulaC77H78BrClF10N8O16S4
Molecular Weight1805.12 g/mol
Exact Mass1802.31
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(CF)c1)c1cccc(S(=O)(=O)NC2CCC(O)CC2)c1.O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NC2CCCC(O)C2)c1.O=C(Nc1ccc(F)c(Br)c1)c1cccc(S(=O)(=O)NC2CCCC(O)C2)c1.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)NC2CCCCC2O)c1
InChIInChI=1S/C20H21F3N2O4S.C19H20BrFN2O4S.C19H19ClF2N2O4S.C19H18F4N2O4S/c21-11-13-8-15(10-18(22)19(13)23)24-20(27)12-2-1-3-17(9-12)30(28,29)25-14-4-6-16(26)7-5-14;20-17-11-13(7-8-18(17)21)22-19(25)12-3-1-6-16(9-12)28(26,27)23-14-4-2-5-15(24)10-14;20-13-10-12(6-8-14(13)21)23-19(26)11-5-7-15(22)18(9-11)29(27,28)24-16-3-1-2-4-17(16)25;20-14-5-4-10(19(27)24-12-8-15(21)18(23)16(22)9-12)6-17(14)30(28,29)25-11-2-1-3-13(26)7-11/h1-3,8-10,14,16,25-26H,4-7,11H2,(H,24,27);1,3,6-9,11,14-15,23-24H,2,4-5,10H2,(H,22,25);5-10,16-17,24-25H,1-4H2,(H,23,26);4-6,8-9,11,13,25-26H,1-3,7H2,(H,24,27)
InChIKeyIDCLYWJTMYDTGH-UHFFFAOYSA-N
XLogP13.22
TPSA382.00 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.12
LogP ≤ 513.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide with MolForge

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-bromo-4-fluorophenyl)-4-chloro-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-chloro-N-(3-chloro-4-fluorophenyl)-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;4-chloro-N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide
CID 159647372
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid
CID 146301482
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
CID 5008740
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
4-chloro-3-(3-hydroxycyclohexyl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130425110
N-(3-chloro-4-fluorophenyl)-3-[(3R)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121370723
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide (CID 158663938) is N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(CF)c1)c1cccc(S(=O)(=O)NC2CCC(O)CC2)c1.O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NC2CCCC(O)C2)c1.O=C(Nc1ccc(F)c(Br)c1)c1cccc(S(=O)(=O)NC2CCCC(O)C2)c1.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)NC2CCCCC2O)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is IDCLYWJTMYDTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S.C19H20BrFN2O4S.C19H19ClF2N2O4S.C19H18F4N2O4S/c21-11-13-8-15(10-18(22)19(13)23)24-20(27)12-2-1-3-17(9-12)30(28,29)25-14-4-6-16(26)7-5-14;20-17-11-13(7-8-18(17)21)22-19(25)12-3-1-6-16(9-12)28(26,27)23-14-4-2-5-15(24)10-14;20-13-10-12(6-8-14(13)21)23-19(26)11-5-7-15(22)18(9-11)29(27,28)24-16-3-1-2-4-17(16)25;20-14-5-4-10(19(27)24-12-8-15(21)18(23)16(22)9-12)6-17(14)30(28,29)25-11-2-1-3-13(26)7-11/h1-3,8-10,14,16,25-26H,4-7,11H2,(H,24,27);1,3,6-9,11,14-15,23-24H,2,4-5,10H2,(H,22,25);5-10,16-17,24-25H,1-4H2,(H,23,26);4-6,8-9,11,13,25-26H,1-3,7H2,(H,24,27).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide?
N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 1805.12 g/mol, XLogP of 13.22, 21 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxycyclohexyl)sulfamoyl]benzamide;N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(2-hydroxycyclohexyl)sulfamoyl]benzamide;N-[3,4-difluoro-5-(fluoromethyl)phenyl]-3-[(4-hydroxycyclohexyl)sulfamoyl]benzamide;4-fluoro-3-[(3-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 158663938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).