4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide

C16H17ClN2O3S — CID 3680171

IUPAC4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C16H17ClN2O3S/c1-10-4-7-14(11(2)8-10)19-23(21,22)15-9-12(16(20)18-3)5-6-13(15)17/h4-9,19H,1-3H3,(H,18,20)
InChIKeyJOELZSLQCJGSCQ-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.12
Rot. Bonds4

About 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 3680171) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID3680171
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C16H17ClN2O3S/c1-10-4-7-14(11(2)8-10)19-23(21,22)15-9-12(16(20)18-3)5-6-13(15)17/h4-9,19H,1-3H3,(H,18,20)
InChIKeyJOELZSLQCJGSCQ-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
methyl 3-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 2304391
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6360251
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide (CID 3680171) is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is JOELZSLQCJGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10-4-7-14(11(2)8-10)19-23(21,22)15-9-12(16(20)18-3)5-6-13(15)17/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 3680171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).