2,3-dimethyl-5-sulfamoylbenzamide

C9H12N2O3S — CID 65373668

IUPAC2,3-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(N)=O)c1C
InChIInChI=1S/C9H12N2O3S/c1-5-3-7(15(11,13)14)4-8(6(5)2)9(10)12/h3-4H,1-2H3,(H2,10,12)(H2,11,13,14)
InChIKeyQLEIFMBDSVIBSF-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.05
Rot. Bonds2

About 2,3-dimethyl-5-sulfamoylbenzamide

2,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 65373668) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-5-sulfamoylbenzamide
PubChem CID65373668
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2,3-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(N)=O)c1C
InChIInChI=1S/C9H12N2O3S/c1-5-3-7(15(11,13)14)4-8(6(5)2)9(10)12/h3-4H,1-2H3,(H2,10,12)(H2,11,13,14)
InChIKeyQLEIFMBDSVIBSF-UHFFFAOYSA-N
XLogP0.05
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbamoyl-4,5-dimethylbenzenesulfonyl chloride
CID 65367984
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
N,N,2,3-tetramethyl-5-sulfamoylbenzamide
CID 65373871
2,3-dimethyl-5-(methylsulfamoyl)benzamide
CID 155439056
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide
CID 65387000
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
N-ethyl-2,3-dimethyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65387190
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of 2,3-dimethyl-5-sulfamoylbenzamide (CID 65373668) is 2,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for 2,3-dimethyl-5-sulfamoylbenzamide is Cc1cc(S(N)(=O)=O)cc(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is QLEIFMBDSVIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5-3-7(15(11,13)14)4-8(6(5)2)9(10)12/h3-4H,1-2H3,(H2,10,12)(H2,11,13,14).
What are the key properties of 2,3-dimethyl-5-sulfamoylbenzamide?
2,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 228.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65373668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).