2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide

C20H16ClN3O6S — CID 18575745

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O6S/c1-30-19-12-14(24(26)27)8-11-18(19)22-20(25)16-4-2-3-5-17(16)23-31(28,29)15-9-6-13(21)7-10-15/h2-12,23H,1H3,(H,22,25)
InChIKeySFUINKYZAUBLPR-UHFFFAOYSA-N
MW461.88 g/mol
LogP4.31
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide (PubChem CID 18575745) has the molecular formula C20H16ClN3O6S and a molecular weight of 461.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
PubChem CID18575745
Molecular FormulaC20H16ClN3O6S
Molecular Weight461.88 g/mol
Exact Mass461.04
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O6S/c1-30-19-12-14(24(26)27)8-11-18(19)22-20(25)16-4-2-3-5-17(16)23-31(28,29)15-9-6-13(21)7-10-15/h2-12,23H,1H3,(H,22,25)
InChIKeySFUINKYZAUBLPR-UHFFFAOYSA-N
XLogP4.31
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.88
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2683748
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786212
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide (CID 18575745) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide?
The InChIKey is SFUINKYZAUBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O6S/c1-30-19-12-14(24(26)27)8-11-18(19)22-20(25)16-4-2-3-5-17(16)23-31(28,29)15-9-6-13(21)7-10-15/h2-12,23H,1H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide has a molecular weight of 461.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 18575745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).