N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide

C123H95Cl5N8O21S10 — CID 158785099

About N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158785099) has the molecular formula C123H95Cl5N8O21S10 and a molecular weight of 2519.08 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 158785099
• Molecular Formula: C123H95Cl5N8O21S10
• Molecular Weight: 2519.08 g/mol
• Exact Mass: 2514.23
• IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide
• SMILES: CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccc2)cc1.Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)sc2ccc(Cl)cc12.Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)C1=CSC2C=CC=CC12.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccon2)s1.O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C22H15Cl2NO3S2.C21H16ClNO3S2.C21H20ClNO3S2.C20H13ClN2O4S2.C20H17NO3S.C19H14N2O5S/c1-13-17-11-16(24)8-10-20(17)29-22(13)30(27,28)25-19-9-7-15(23)12-18(19)21(26)14-5-3-2-4-6-14;22-15-10-11-18(17(12-15)21(24)14-6-2-1-3-7-14)23-28(25,26)20-13-27-19-9-5-4-8-16(19)20;1-15(2)26-17-9-11-19(12-10-17)28(24,25)23-20-13-8-16(22)14-21(20)27-18-6-4-3-5-7-18;21-14-6-7-16(15(12-14)20(24)13-4-2-1-3-5-13)23-29(25,26)19-9-8-18(28-19)17-10-11-27-22-17;1-15-11-13-17(14-12-15)25(23,24)21-19-10-6-5-9-18(19)20(22)16-7-3-2-4-8-16;22-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)20-27(25,26)16-12-10-15(11-13-16)21(23)24/h2-12,25H,1H3;1-13,16,19,23H;3-15,23H,1-2H3;1-12,23H;2-14,21H,1H3;1-13,20H
• InChIKey: IROPTVYRNXDPPZ-UHFFFAOYSA-N
• XLogP: 30.38
• TPSA: 440.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2519.08
LogP ≤ 5	30.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide (CID 158785099) is N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccc2)cc1.Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)sc2ccc(Cl)cc12.Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)C1=CSC2C=CC=CC12.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccon2)s1.O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.

What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is IROPTVYRNXDPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO3S2.C21H16ClNO3S2.C21H20ClNO3S2.C20H13ClN2O4S2.C20H17NO3S.C19H14N2O5S/c1-13-17-11-16(24)8-10-20(17)29-22(13)30(27,28)25-19-9-7-15(23)12-18(19)21(26)14-5-3-2-4-6-14;22-15-10-11-18(17(12-15)21(24)14-6-2-1-3-7-14)23-28(25,26)20-13-27-19-9-5-4-8-16(19)20;1-15(2)26-17-9-11-19(12-10-17)28(24,25)23-20-13-8-16(22)14-21(20)27-18-6-4-3-5-7-18;21-14-6-7-16(15(12-14)20(24)13-4-2-1-3-5-13)23-29(25,26)19-9-8-18(28-19)17-10-11-27-22-17;1-15-11-13-17(14-12-15)25(23,24)21-19-10-6-5-9-18(19)20(22)16-7-3-2-4-8-16;22-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)20-27(25,26)16-12-10-15(11-13-16)21(23)24/h2-12,25H,1H3;1-13,16,19,23H;3-15,23H,1-2H3;1-12,23H;2-14,21H,1H3;1-13,20H.

What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide?

N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2519.08 g/mol, XLogP of 30.38, 34 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 158785099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).