3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide

C11H15ClN2O3S — CID 62727205

IUPAC3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)CCl
InChIInChI=1S/C11H15ClN2O3S/c1-7-3-4-9(18(13,16)17)5-10(7)14-11(15)8(2)6-12/h3-5,8H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySCAZVIBZRMVUIG-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.46
Rot. Bonds4

About 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide

3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide (PubChem CID 62727205) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
PubChem CID62727205
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)CCl
InChIInChI=1S/C11H15ClN2O3S/c1-7-3-4-9(18(13,16)17)5-10(7)14-11(15)8(2)6-12/h3-5,8H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySCAZVIBZRMVUIG-UHFFFAOYSA-N
XLogP1.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide (CID 62727205) is 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide?
The InChIKey is SCAZVIBZRMVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7-3-4-9(18(13,16)17)5-10(7)14-11(15)8(2)6-12/h3-5,8H,6H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide?
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide has a molecular weight of 290.77 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 62727205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).