2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide

C13H19ClN2O3S — CID 81181976

IUPAC2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8(12(17)16-13(2,3)4)20(18,19)11-6-5-9(15)7-10(11)14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyGUQJMEYNZBYBKA-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide

2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide (PubChem CID 81181976) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
PubChem CID81181976
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8(12(17)16-13(2,3)4)20(18,19)11-6-5-9(15)7-10(11)14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyGUQJMEYNZBYBKA-UHFFFAOYSA-N
XLogP2.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide 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-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81201862
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
1-(4-amino-2-chlorophenyl)-3-tert-butylurea
CID 28785677
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
3-(4-amino-2-chlorophenyl)sulfonyl-2-methylpropanamide
CID 81181815
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
CID 116646022
2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
CID 82839375
2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
CID 82834759
2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
CID 81206957

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide (CID 81181976) is 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide?
The InChIKey is GUQJMEYNZBYBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8(12(17)16-13(2,3)4)20(18,19)11-6-5-9(15)7-10(11)14/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide?
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide has a molecular weight of 318.83 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide is sourced from PubChem (CID 81181976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).