4-chloro-N-methyl-3-sulfamoylbenzamide

C8H9ClN2O3S — CID 60637185

IUPAC4-chloro-N-methyl-3-sulfamoylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H9ClN2O3S/c1-11-8(12)5-2-3-6(9)7(4-5)15(10,13)14/h2-4H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyHFDYDVAJJFNUJI-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.35
Rot. Bonds2

About 4-chloro-N-methyl-3-sulfamoylbenzamide

4-chloro-N-methyl-3-sulfamoylbenzamide (PubChem CID 60637185) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-sulfamoylbenzamide
PubChem CID60637185
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name4-chloro-N-methyl-3-sulfamoylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H9ClN2O3S/c1-11-8(12)5-2-3-6(9)7(4-5)15(10,13)14/h2-4H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyHFDYDVAJJFNUJI-UHFFFAOYSA-N
XLogP0.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
CID 22756393
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4845850
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-methyl-3-sulfamoylbenzamide (CID 60637185) is 4-chloro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-methyl-3-sulfamoylbenzamide is CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is HFDYDVAJJFNUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-11-8(12)5-2-3-6(9)7(4-5)15(10,13)14/h2-4H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 4-chloro-N-methyl-3-sulfamoylbenzamide?
4-chloro-N-methyl-3-sulfamoylbenzamide has a molecular weight of 248.69 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 60637185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).