3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide

C9H14N4O4S — CID 106166600

IUPAC3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C9H14N4O4S/c10-6-3-5(18(12,16)17)1-2-7(6)13-4-8(14)9(11)15/h1-3,8,13-14H,4,10H2,(H2,11,15)(H2,12,16,17)
InChIKeyUNCNMTYJRCFYJB-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.83
Rot. Bonds5

About 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide

3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide (PubChem CID 106166600) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
PubChem CID106166600
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C9H14N4O4S/c10-6-3-5(18(12,16)17)1-2-7(6)13-4-8(14)9(11)15/h1-3,8,13-14H,4,10H2,(H2,11,15)(H2,12,16,17)
InChIKeyUNCNMTYJRCFYJB-UHFFFAOYSA-N
XLogP-1.83
TPSA161.53 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107150923
3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
CID 106166462
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
3-amino-4-[[3-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231809
3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]benzenesulfonamide
CID 106154972
3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65103324
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide (CID 106166600) is 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide?
The InChIKey is UNCNMTYJRCFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c10-6-3-5(18(12,16)17)1-2-7(6)13-4-8(14)9(11)15/h1-3,8,13-14H,4,10H2,(H2,11,15)(H2,12,16,17).
What are the key properties of 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide?
3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide has a molecular weight of 274.30 g/mol, XLogP of -1.83, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106166600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).