2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide

C13H19ClN2O3S — CID 81202581

IUPAC2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-3-4-9(2)16-13(17)8-20(18,19)10-5-6-12(15)11(14)7-10/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyABGCPLNBHXGJOG-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.00
Rot. Bonds6

About 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide

2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide (PubChem CID 81202581) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
PubChem CID81202581
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-3-4-9(2)16-13(17)8-20(18,19)10-5-6-12(15)11(14)7-10/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyABGCPLNBHXGJOG-UHFFFAOYSA-N
XLogP2.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide 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-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81185379
2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81183653
2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide
CID 81202146
2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
2-[(3-amino-2-pyridinyl)sulfonyl]-N-pentan-2-ylacetamide
CID 61489654
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 115330116
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 4-amino-3-chlorobenzoate
CID 78997020
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
CID 4036052
2-chloro-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81202138
2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
CID 81202470
2-bromo-5-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 43323148

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide (CID 81202581) is 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
The InChIKey is ABGCPLNBHXGJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-4-9(2)16-13(17)8-20(18,19)10-5-6-12(15)11(14)7-10/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide has a molecular weight of 318.83 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 81202581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).