4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide

C11H15N3O3S — CID 83176394

IUPAC4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C11H15N3O3S/c1-8(4-5-15)14-18(16,17)11-3-2-10(13)6-9(11)7-12/h2-3,6,8,14-15H,4-5,13H2,1H3
InChIKeyJHQVQINPNKHZRC-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide

4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 83176394) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID83176394
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C11H15N3O3S/c1-8(4-5-15)14-18(16,17)11-3-2-10(13)6-9(11)7-12/h2-3,6,8,14-15H,4-5,13H2,1H3
InChIKeyJHQVQINPNKHZRC-UHFFFAOYSA-N
XLogP0.19
TPSA116.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide 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

4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945076
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
2-[(4-amino-2-cyanophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106525
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide (CID 83176394) is 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide is CC(CCO)NS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is JHQVQINPNKHZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8(4-5-15)14-18(16,17)11-3-2-10(13)6-9(11)7-12/h2-3,6,8,14-15H,4-5,13H2,1H3.
What are the key properties of 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 83176394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).