4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide

C14H12ClN3O5S — CID 4547924

IUPAC4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O5S/c1-8-2-4-10(24(16,22)23)7-12(8)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19)(H2,16,22,23)
InChIKeyFGCPYFRODQTDPE-UHFFFAOYSA-N
MW369.79 g/mol
LogP2.46
Rot. Bonds4

About 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide

4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide (PubChem CID 4547924) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
PubChem CID4547924
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC Name4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O5S/c1-8-2-4-10(24(16,22)23)7-12(8)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19)(H2,16,22,23)
InChIKeyFGCPYFRODQTDPE-UHFFFAOYSA-N
XLogP2.46
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 52.46
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-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 4796819
methyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-methylbenzoate
CID 1122289
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
2-amino-5-[(4-chloro-3-nitrobenzoyl)amino]benzene-1,4-disulfonic acid
CID 21425904
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide (CID 4547924) is 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide?
The InChIKey is FGCPYFRODQTDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c1-8-2-4-10(24(16,22)23)7-12(8)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19)(H2,16,22,23).
What are the key properties of 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide?
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide has a molecular weight of 369.79 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 4547924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).