2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide

C12H17ClN2O3S — CID 81202146

IUPAC2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-3-15(4-2)12(16)8-19(17,18)9-5-6-11(14)10(13)7-9/h5-7H,3-4,8,14H2,1-2H3
InChIKeyNKUQACBWCRSQQV-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.56
Rot. Bonds5

About 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide

2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide (PubChem CID 81202146) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide
PubChem CID81202146
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-3-15(4-2)12(16)8-19(17,18)9-5-6-11(14)10(13)7-9/h5-7H,3-4,8,14H2,1-2H3
InChIKeyNKUQACBWCRSQQV-UHFFFAOYSA-N
XLogP1.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide 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-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
CID 81202470
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
2-chloro-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81202138
2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81202581
2-chloro-4-[3-(dimethylamino)propylsulfonyl]aniline
CID 114526935
3-(4-amino-3-chlorophenyl)sulfonylpropanenitrile
CID 154164908
2-chloro-4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonylbenzoic acid
CID 107090478
2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
CID 81182333
2-chloro-5-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonylbenzoic acid
CID 43309828
2-chloro-4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 107090472
2-chloro-4-(2-phenylethylsulfonyl)aniline
CID 81201936
4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol
CID 81201929

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide (CID 81202146) is 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide?
The InChIKey is NKUQACBWCRSQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-15(4-2)12(16)8-19(17,18)9-5-6-11(14)10(13)7-9/h5-7H,3-4,8,14H2,1-2H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide?
2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide has a molecular weight of 304.80 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide is sourced from PubChem (CID 81202146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).