4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C10H13N3O3S — CID 93081252

IUPAC4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C10H13N3O3S/c1-7(14)6-13-17(15,16)10-3-2-9(12)4-8(10)5-11/h2-4,7,13-14H,6,12H2,1H3/t7-/m1/s1
InChIKeyVICPCDJHGQDVLQ-SSDOTTSWSA-N
MW255.30 g/mol
LogP-0.20
Rot. Bonds4

About 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 93081252) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
PubChem CID93081252
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C10H13N3O3S/c1-7(14)6-13-17(15,16)10-3-2-9(12)4-8(10)5-11/h2-4,7,13-14H,6,12H2,1H3/t7-/m1/s1
InChIKeyVICPCDJHGQDVLQ-SSDOTTSWSA-N
XLogP-0.20
TPSA116.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164933
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
4-amino-2-cyano-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945076
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (CID 93081252) is 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is VICPCDJHGQDVLQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-7(14)6-13-17(15,16)10-3-2-9(12)4-8(10)5-11/h2-4,7,13-14H,6,12H2,1H3/t7-/m1/s1.
What are the key properties of 4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.20, 4 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-[(2R)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 93081252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).