3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide

C18H20N2O3S — CID 30856229

IUPAC3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1C
InChIInChI=1S/C18H20N2O3S/c1-12-5-3-8-17(13(12)2)19-18(21)14-6-4-7-16(11-14)24(22,23)20-15-9-10-15/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyDXNMTMFEVLSXLW-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.00
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide

3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide (PubChem CID 30856229) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
PubChem CID30856229
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1C
InChIInChI=1S/C18H20N2O3S/c1-12-5-3-8-17(13(12)2)19-18(21)14-6-4-7-16(11-14)24(22,23)20-15-9-10-15/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyDXNMTMFEVLSXLW-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55763086
4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide
CID 46465029
N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 120568619
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide (CID 30856229) is 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1C.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is DXNMTMFEVLSXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-5-3-8-17(13(12)2)19-18(21)14-6-4-7-16(11-14)24(22,23)20-15-9-10-15/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 30856229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).