3-chloro-2-methyl-5-sulfamoylbenzamide

C8H9ClN2O3S — CID 107100898

IUPAC3-chloro-2-methyl-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(N)=O
InChIInChI=1S/C8H9ClN2O3S/c1-4-6(8(10)12)2-5(3-7(4)9)15(11,13)14/h2-3H,1H3,(H2,10,12)(H2,11,13,14)
InChIKeyORORRMBJZNFEKC-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.39
Rot. Bonds2

About 3-chloro-2-methyl-5-sulfamoylbenzamide

3-chloro-2-methyl-5-sulfamoylbenzamide (PubChem CID 107100898) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-5-sulfamoylbenzamide
PubChem CID107100898
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name3-chloro-2-methyl-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(N)=O
InChIInChI=1S/C8H9ClN2O3S/c1-4-6(8(10)12)2-5(3-7(4)9)15(11,13)14/h2-3H,1H3,(H2,10,12)(H2,11,13,14)
InChIKeyORORRMBJZNFEKC-UHFFFAOYSA-N
XLogP0.39
TPSA103.25 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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
3-chloro-2,5-dimethylbenzamide
CID 171008035
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
3-methoxypropyl 3-chloro-2-methyl-5-sulfamoylbenzoate
CID 107101090
3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
3-chloro-5-ethyl-4-methylbenzenesulfonamide
CID 174477072
3-chloro-2-methyl-N-(1-methylsulfinylpropan-2-yl)-5-sulfamoylbenzamide
CID 107101053
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
CID 107100990
3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide
CID 107101056
3-carbamoyl-4,5-dimethylbenzenesulfonyl chloride
CID 65367984
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-2-methyl-5-sulfamoylbenzamide (CID 107100898) is 3-chloro-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-2-methyl-5-sulfamoylbenzamide is Cc1c(Cl)cc(S(N)(=O)=O)cc1C(N)=O.
What is the InChIKey of 3-chloro-2-methyl-5-sulfamoylbenzamide?
The InChIKey is ORORRMBJZNFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-4-6(8(10)12)2-5(3-7(4)9)15(11,13)14/h2-3H,1H3,(H2,10,12)(H2,11,13,14).
What are the key properties of 3-chloro-2-methyl-5-sulfamoylbenzamide?
3-chloro-2-methyl-5-sulfamoylbenzamide has a molecular weight of 248.69 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 107100898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).