N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide

C55H37Cl4IN4O11S4 — CID 158691599

IUPACN-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(I)cc1.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1.O=C(c1ccccc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H12Cl2N2O5S.C19H13ClINO3S.C17H12ClNO3S2/c20-12-5-10-18(16(11-12)19(24)15-3-1-2-4-17(15)21)22-29(27,28)14-8-6-13(7-9-14)23(25)26;20-14-6-11-18(17(12-14)19(23)13-4-2-1-3-5-13)22-26(24,25)16-9-7-15(21)8-10-16;18-13-8-9-15(19-24(21,22)16-7-4-10-23-16)14(11-13)17(20)12-5-2-1-3-6-12/h1-11,22H;1-12,22H;1-11,19H
InChIKeyIGKLGEJOKWDPFP-UHFFFAOYSA-N
MW1326.90 g/mol
LogP14.34
Rot. Bonds16

About N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide (PubChem CID 158691599) has the molecular formula C55H37Cl4IN4O11S4 and a molecular weight of 1326.90 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide
PubChem CID158691599
Molecular FormulaC55H37Cl4IN4O11S4
Molecular Weight1326.90 g/mol
Exact Mass1323.91
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(I)cc1.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1.O=C(c1ccccc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H12Cl2N2O5S.C19H13ClINO3S.C17H12ClNO3S2/c20-12-5-10-18(16(11-12)19(24)15-3-1-2-4-17(15)21)22-29(27,28)14-8-6-13(7-9-14)23(25)26;20-14-6-11-18(17(12-14)19(23)13-4-2-1-3-5-13)22-26(24,25)16-9-7-15(21)8-10-16;18-13-8-9-15(19-24(21,22)16-7-4-10-23-16)14(11-13)17(20)12-5-2-1-3-6-12/h1-11,22H;1-12,22H;1-11,19H
InChIKeyIGKLGEJOKWDPFP-UHFFFAOYSA-N
XLogP14.34
TPSA232.86 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.90
LogP ≤ 514.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide with MolForge

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Related Compounds

[5-chloro-2-(4-nitroanilino)phenyl]-phenylmethanone
CID 3826701
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-[2-[[[2-(methylamino)-5-nitrobenzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27023469
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 25040906
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-(4-chloro-2-pyridin-3-ylsulfonylphenyl)-4-nitrobenzenesulfonamide
CID 159841678
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
CID 91408660
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide (CID 158691599) is N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide is O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(I)cc1.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1.O=C(c1ccccc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide?
The InChIKey is IGKLGEJOKWDPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O5S.C19H13ClINO3S.C17H12ClNO3S2/c20-12-5-10-18(16(11-12)19(24)15-3-1-2-4-17(15)21)22-29(27,28)14-8-6-13(7-9-14)23(25)26;20-14-6-11-18(17(12-14)19(23)13-4-2-1-3-5-13)22-26(24,25)16-9-7-15(21)8-10-16;18-13-8-9-15(19-24(21,22)16-7-4-10-23-16)14(11-13)17(20)12-5-2-1-3-6-12/h1-11,22H;1-12,22H;1-11,19H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide has a molecular weight of 1326.90 g/mol, XLogP of 14.34, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 158691599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).