2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide

C11H14ClNO4S — CID 167993137

IUPAC2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)CCl)c(C)c1C
InChIInChI=1S/C11H14ClNO4S/c1-7-8(2)10(5-4-9(7)17-3)18(15,16)13-11(14)6-12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyWMJMGTRZMDJQHD-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.36
Rot. Bonds4

About 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide

2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide (PubChem CID 167993137) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide
PubChem CID167993137
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)CCl)c(C)c1C
InChIInChI=1S/C11H14ClNO4S/c1-7-8(2)10(5-4-9(7)17-3)18(15,16)13-11(14)6-12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyWMJMGTRZMDJQHD-UHFFFAOYSA-N
XLogP1.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide 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

N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
N-(4-methoxy-2,3-dimethylphenyl)sulfonylpyridine-3-carboxamide
CID 99529635
2-ethyl-N-(4-methoxy-2,3-dimethylphenyl)sulfonyl-1,3-oxazole-4-carboxamide
CID 99613082
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 110758714
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490419
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide?
The IUPAC name of 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide (CID 167993137) is 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)NC(=O)CCl)c(C)c1C.
What is the InChIKey of 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide?
The InChIKey is WMJMGTRZMDJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7-8(2)10(5-4-9(7)17-3)18(15,16)13-11(14)6-12/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide?
2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide has a molecular weight of 291.76 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide is sourced from PubChem (CID 167993137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).