2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

C14H21ClN2O3S — CID 81201862

IUPAC2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-5-14(3,4)17-13(18)9(2)21(19,20)12-8-10(16)6-7-11(12)15/h6-9H,5,16H2,1-4H3,(H,17,18)
InChIKeyHREGPSXITSKCMA-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.39
Rot. Bonds5

About 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 81201862) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID81201862
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-5-14(3,4)17-13(18)9(2)21(19,20)12-8-10(16)6-7-11(12)15/h6-9H,5,16H2,1-4H3,(H,17,18)
InChIKeyHREGPSXITSKCMA-UHFFFAOYSA-N
XLogP2.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)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-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
CID 81181976
2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81185373
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81187150
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321456
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
N-(5-amino-2-chlorophenyl)sulfonylacetamide
CID 90103999
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (CID 81201862) is 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is HREGPSXITSKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-14(3,4)17-13(18)9(2)21(19,20)12-8-10(16)6-7-11(12)15/h6-9H,5,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 81201862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).