2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide

C26H18Cl3N3O8S2 — CID 11239298

IUPAC2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl.O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H8Cl2N2O5S.C13H10ClNO3S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(17(19)20)7-12(11)15;14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-7H,(H,16,18);1-9H,(H,15,16)
InChIKeyNDRNILFBXBFZLQ-UHFFFAOYSA-N
MW670.94 g/mol
LogP5.48
Rot. Bonds7

About 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide

2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11239298) has the molecular formula C26H18Cl3N3O8S2 and a molecular weight of 670.94 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11239298
Molecular FormulaC26H18Cl3N3O8S2
Molecular Weight670.94 g/mol
Exact Mass668.96
IUPAC Name2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl.O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H8Cl2N2O5S.C13H10ClNO3S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(17(19)20)7-12(11)15;14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-7H,(H,16,18);1-9H,(H,15,16)
InChIKeyNDRNILFBXBFZLQ-UHFFFAOYSA-N
XLogP5.48
TPSA169.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.94
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
CID 3445302
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
benzamido 2-chloro-4-nitrobenzoate
CID 59855635
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide
CID 22019499
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
(2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 61153365
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide
CID 55588452
N-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728
2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxybutanoic acid
CID 43238714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide (CID 11239298) is 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl.O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is NDRNILFBXBFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O5S.C13H10ClNO3S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(17(19)20)7-12(11)15;14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-7H,(H,16,18);1-9H,(H,15,16).
What are the key properties of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide?
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 670.94 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11239298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).