3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide

C10H12N4O4S — CID 106164933

IUPAC3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C10H12N4O4S/c11-4-6-3-7(12)1-2-9(6)19(17,18)14-5-8(15)10(13)16/h1-3,8,14-15H,5,12H2,(H2,13,16)
InChIKeyUHIXUJKSNDPITI-UHFFFAOYSA-N
MW284.30 g/mol
LogP-1.74
Rot. Bonds5

About 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide

3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide (PubChem CID 106164933) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
PubChem CID106164933
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C10H12N4O4S/c11-4-6-3-7(12)1-2-9(6)19(17,18)14-5-8(15)10(13)16/h1-3,8,14-15H,5,12H2,(H2,13,16)
InChIKeyUHIXUJKSNDPITI-UHFFFAOYSA-N
XLogP-1.74
TPSA159.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
4-amino-2-cyano-N-pent-4-ynylbenzenesulfonamide
CID 106219873
4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
1-(4-amino-2-cyanophenyl)sulfonyl-3-tert-butylurea
CID 116646560
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
CID 106168366

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide (CID 106164933) is 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide is N#Cc1cc(N)ccc1S(=O)(=O)NCC(O)C(N)=O.
What is the InChIKey of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide?
The InChIKey is UHIXUJKSNDPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c11-4-6-3-7(12)1-2-9(6)19(17,18)14-5-8(15)10(13)16/h1-3,8,14-15H,5,12H2,(H2,13,16).
What are the key properties of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide?
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide has a molecular weight of 284.30 g/mol, XLogP of -1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106164933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).