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

C14H13ClN2O3S — CID 51263313

IUPAC4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-9-12(15)3-2-4-13(9)17-21(19,20)11-7-5-10(6-8-11)14(16)18/h2-8,17H,1H3,(H2,16,18)
InChIKeyDVIYWCAUOVQCCY-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.55
Rot. Bonds4

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

4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide (PubChem CID 51263313) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
PubChem CID51263313
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-9-12(15)3-2-4-13(9)17-21(19,20)11-7-5-10(6-8-11)14(16)18/h2-8,17H,1H3,(H2,16,18)
InChIKeyDVIYWCAUOVQCCY-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
4-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 60532248
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
4-[(3-chloro-2-ethoxyphenyl)sulfamoyl]benzamide
CID 60578962
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
5-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613985
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide (CID 51263313) is 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is DVIYWCAUOVQCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-12(15)3-2-4-13(9)17-21(19,20)11-7-5-10(6-8-11)14(16)18/h2-8,17H,1H3,(H2,16,18).
What are the key properties of 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide?
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 324.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 51263313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).