3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide

C12H17ClN2O3S — CID 63680751

IUPAC3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
SMILESCC(C)(CCl)C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O3S/c1-12(2,8-13)11(16)15-7-9-4-3-5-10(6-9)19(14,17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyVDXMURMVNZALAS-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.22
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide

3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide (PubChem CID 63680751) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
PubChem CID63680751
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
SMILESCC(C)(CCl)C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O3S/c1-12(2,8-13)11(16)15-7-9-4-3-5-10(6-9)19(14,17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyVDXMURMVNZALAS-UHFFFAOYSA-N
XLogP1.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]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

2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
CID 63680580
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
CID 119731398
3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048
1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 32566657
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 19429474

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide (CID 63680751) is 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide is CC(C)(CCl)C(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
The InChIKey is VDXMURMVNZALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-12(2,8-13)11(16)15-7-9-4-3-5-10(6-9)19(14,17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide has a molecular weight of 304.80 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 63680751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).