3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide

C11H17N3O4S — CID 106171016

IUPAC3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
SMILESCCNS(=O)(=O)c1ccc(NCC(O)C(N)=O)cc1
InChIInChI=1S/C11H17N3O4S/c1-2-14-19(17,18)9-5-3-8(4-6-9)13-7-10(15)11(12)16/h3-6,10,13-15H,2,7H2,1H3,(H2,12,16)
InChIKeyLEUMBDHBYHKIPL-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.76
Rot. Bonds7

About 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide

3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide (PubChem CID 106171016) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
PubChem CID106171016
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
SMILESCCNS(=O)(=O)c1ccc(NCC(O)C(N)=O)cc1
InChIInChI=1S/C11H17N3O4S/c1-2-14-19(17,18)9-5-3-8(4-6-9)13-7-10(15)11(12)16/h3-6,10,13-15H,2,7H2,1H3,(H2,12,16)
InChIKeyLEUMBDHBYHKIPL-UHFFFAOYSA-N
XLogP-0.76
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442
3-[4-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62676272
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 107396859
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide?
The IUPAC name of 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide (CID 106171016) is 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide?
The canonical SMILES for 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide is CCNS(=O)(=O)c1ccc(NCC(O)C(N)=O)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide?
The InChIKey is LEUMBDHBYHKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-14-19(17,18)9-5-3-8(4-6-9)13-7-10(15)11(12)16/h3-6,10,13-15H,2,7H2,1H3,(H2,12,16).
What are the key properties of 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide?
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide has a molecular weight of 287.34 g/mol, XLogP of -0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide is sourced from PubChem (CID 106171016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).