N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide

C128H112Cl4F3N11O22S7 — CID 160609858

IUPACN-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(-c2ccco2)s1
InChIInChI=1S/C23H20F3NO4S.C22H21ClN2O3S.C21H19ClN2O4S.C21H19ClN2O3S.C21H20N2O4S.C20H13ClN2O4S2/c1-15(2)31-18-9-11-19(12-10-18)32(29,30)27-21-13-8-17(23(24,25)26)14-20(21)22(28)16-6-4-3-5-7-16;1-15(2)24-18-9-11-19(12-10-18)29(27,28)25-21-13-8-17(23)14-20(21)22(26)16-6-4-3-5-7-16;1-14(2)28-17-8-10-18(11-9-17)29(26,27)24-21-19(12-16(22)13-23-21)20(25)15-6-4-3-5-7-15;1-14(2)15-8-10-18(11-9-15)28(26,27)24-21-19(12-17(22)13-23-21)20(25)16-6-4-3-5-7-16;1-15(2)27-17-8-10-18(11-9-17)28(25,26)23-20-12-13-22-14-19(20)21(24)16-6-4-3-5-7-16;21-14-11-15(19(24)13-5-2-1-3-6-13)20(22-12-14)23-29(25,26)18-9-8-17(28-18)16-7-4-10-27-16/h3-15,27H,1-2H3;3-15,24-25H,1-2H3;3-14H,1-2H3,(H,23,24);3-14H,1-2H3,(H,23,24);3-15H,1-2H3,(H,22,23);1-12H,(H,22,23)
InChIKeyRFJHQECAGZBQOP-UHFFFAOYSA-N
MW2579.63 g/mol
LogP29.15
Rot. Bonds40

About N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 160609858) has the molecular formula C128H112Cl4F3N11O22S7 and a molecular weight of 2579.63 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID160609858
Molecular FormulaC128H112Cl4F3N11O22S7
Molecular Weight2579.63 g/mol
Exact Mass2575.47
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(-c2ccco2)s1
InChIInChI=1S/C23H20F3NO4S.C22H21ClN2O3S.C21H19ClN2O4S.C21H19ClN2O3S.C21H20N2O4S.C20H13ClN2O4S2/c1-15(2)31-18-9-11-19(12-10-18)32(29,30)27-21-13-8-17(23(24,25)26)14-20(21)22(28)16-6-4-3-5-7-16;1-15(2)24-18-9-11-19(12-10-18)29(27,28)25-21-13-8-17(23)14-20(21)22(26)16-6-4-3-5-7-16;1-14(2)28-17-8-10-18(11-9-17)29(26,27)24-21-19(12-16(22)13-23-21)20(25)15-6-4-3-5-7-15;1-14(2)15-8-10-18(11-9-15)28(26,27)24-21-19(12-17(22)13-23-21)20(25)16-6-4-3-5-7-16;1-15(2)27-17-8-10-18(11-9-17)28(25,26)23-20-12-13-22-14-19(20)21(24)16-6-4-3-5-7-16;21-14-11-15(19(24)13-5-2-1-3-6-13)20(22-12-14)23-29(25,26)18-9-8-17(28-18)16-7-4-10-27-16/h3-15,27H,1-2H3;3-15,24-25H,1-2H3;3-14H,1-2H3,(H,23,24);3-14H,1-2H3,(H,23,24);3-15H,1-2H3,(H,22,23);1-12H,(H,22,23)
InChIKeyRFJHQECAGZBQOP-UHFFFAOYSA-N
XLogP29.15
TPSA483.86 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.63
LogP ≤ 529.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 160609858) is N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(-c2ccco2)s1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is RFJHQECAGZBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4S.C22H21ClN2O3S.C21H19ClN2O4S.C21H19ClN2O3S.C21H20N2O4S.C20H13ClN2O4S2/c1-15(2)31-18-9-11-19(12-10-18)32(29,30)27-21-13-8-17(23(24,25)26)14-20(21)22(28)16-6-4-3-5-7-16;1-15(2)24-18-9-11-19(12-10-18)29(27,28)25-21-13-8-17(23)14-20(21)22(26)16-6-4-3-5-7-16;1-14(2)28-17-8-10-18(11-9-17)29(26,27)24-21-19(12-16(22)13-23-21)20(25)15-6-4-3-5-7-15;1-14(2)15-8-10-18(11-9-15)28(26,27)24-21-19(12-17(22)13-23-21)20(25)16-6-4-3-5-7-16;1-15(2)27-17-8-10-18(11-9-17)28(25,26)23-20-12-13-22-14-19(20)21(24)16-6-4-3-5-7-16;21-14-11-15(19(24)13-5-2-1-3-6-13)20(22-12-14)23-29(25,26)18-9-8-17(28-18)16-7-4-10-27-16/h3-15,27H,1-2H3;3-15,24-25H,1-2H3;3-14H,1-2H3,(H,23,24);3-14H,1-2H3,(H,23,24);3-15H,1-2H3,(H,22,23);1-12H,(H,22,23).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2579.63 g/mol, XLogP of 29.15, 40 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-(propan-2-ylamino)benzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-5-(furan-2-yl)thiophene-2-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;N-[2-benzoyl-4-(trifluoromethyl)phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 160609858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).