2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide

C11H16ClN3O3S — CID 106343791

IUPAC2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1N)C(N)=O
InChIInChI=1S/C11H16ClN3O3S/c1-6(2)10(11(14)16)15-19(17,18)9-4-3-7(12)5-8(9)13/h3-6,10,15H,13H2,1-2H3,(H2,14,16)
InChIKeyRWSMXRCLAFNEKG-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.71
Rot. Bonds5

About 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide

2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106343791) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106343791
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1N)C(N)=O
InChIInChI=1S/C11H16ClN3O3S/c1-6(2)10(11(14)16)15-19(17,18)9-4-3-7(12)5-8(9)13/h3-6,10,15H,13H2,1-2H3,(H2,14,16)
InChIKeyRWSMXRCLAFNEKG-UHFFFAOYSA-N
XLogP0.71
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-4-nitrophenyl)sulfonylamino]-3-methylbutanamide
CID 106347100
2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847
2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343844
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486
2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343813
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide
CID 97255208

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide (CID 106343791) is 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)cc1N)C(N)=O.
What is the InChIKey of 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is RWSMXRCLAFNEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-6(2)10(11(14)16)15-19(17,18)9-4-3-7(12)5-8(9)13/h3-6,10,15H,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 305.79 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106343791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).