4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide

C20H16ClN3O5S — CID 2910523

IUPAC4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H16ClN3O5S/c1-13-6-2-3-7-16(13)23-30(28,29)19-12-14(10-11-15(19)21)20(25)22-17-8-4-5-9-18(17)24(26)27/h2-12,23H,1H3,(H,22,25)
InChIKeyHNCULKOXWWPFSU-UHFFFAOYSA-N
MW445.88 g/mol
LogP4.61
Rot. Bonds6

About 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide (PubChem CID 2910523) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
PubChem CID2910523
Molecular FormulaC20H16ClN3O5S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H16ClN3O5S/c1-13-6-2-3-7-16(13)23-30(28,29)19-12-14(10-11-15(19)21)20(25)22-17-8-4-5-9-18(17)24(26)27/h2-12,23H,1H3,(H,22,25)
InChIKeyHNCULKOXWWPFSU-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

4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 1250809
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
4-chloro-3-[(2-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80694028
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide (CID 2910523) is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
The InChIKey is HNCULKOXWWPFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c1-13-6-2-3-7-16(13)23-30(28,29)19-12-14(10-11-15(19)21)20(25)22-17-8-4-5-9-18(17)24(26)27/h2-12,23H,1H3,(H,22,25).
What are the key properties of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide?
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide 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 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 2910523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).