N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide

C20H16ClN3O5S — CID 4546523

IUPACN-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16ClN3O5S/c1-13-5-10-18(30(28,29)23-16-8-6-15(21)7-9-16)12-19(13)22-20(25)14-3-2-4-17(11-14)24(26)27/h2-12,23H,1H3,(H,22,25)
InChIKeyBSXRYVYWOKXRAZ-UHFFFAOYSA-N
MW445.88 g/mol
LogP4.61
Rot. Bonds6

About N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide

N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide (PubChem CID 4546523) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
PubChem CID4546523
Molecular FormulaC20H16ClN3O5S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16ClN3O5S/c1-13-5-10-18(30(28,29)23-16-8-6-15(21)7-9-16)12-19(13)22-20(25)14-3-2-4-17(11-14)24(26)27/h2-12,23H,1H3,(H,22,25)
InChIKeyBSXRYVYWOKXRAZ-UHFFFAOYSA-N
XLogP4.61
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
CID 46549914
N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26538703
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649
N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
CID 3445302
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]-3-nitrobenzamide
CID 55346094
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
CID 70115356
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide (CID 4546523) is N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide?
The InChIKey is BSXRYVYWOKXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c1-13-5-10-18(30(28,29)23-16-8-6-15(21)7-9-16)12-19(13)22-20(25)14-3-2-4-17(11-14)24(26)27/h2-12,23H,1H3,(H,22,25).
What are the key properties of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide?
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide has a molecular weight of 445.88 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide is sourced from PubChem (CID 4546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).