4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide

C14H13ClN2O3S — CID 43246597

IUPAC4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-12(6-7-13(9)21(16,19)20)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeySHPGBIBBEZRBPE-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide

4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide (PubChem CID 43246597) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
PubChem CID43246597
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-12(6-7-13(9)21(16,19)20)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeySHPGBIBBEZRBPE-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139946842
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
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4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004
4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155510385
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide (CID 43246597) is 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1S(N)(=O)=O.
What is the InChIKey of 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide?
The InChIKey is SHPGBIBBEZRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-8-12(6-7-13(9)21(16,19)20)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide?
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide has a molecular weight of 324.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 43246597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).