3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride

C14H22ClN3O4S — CID 120872676

IUPAC3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-10(15)8-14(19)16-12-9-11(4-5-13(12)18)22(20,21)17-6-2-3-7-17;/h4-5,9-10,18H,2-3,6-8,15H2,1H3,(H,16,19);1H
InChIKeyNMNNDRXHLKZKLW-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.27
Rot. Bonds5

About 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride

3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride (PubChem CID 120872676) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
PubChem CID120872676
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-10(15)8-14(19)16-12-9-11(4-5-13(12)18)22(20,21)17-6-2-3-7-17;/h4-5,9-10,18H,2-3,6-8,15H2,1H3,(H,16,19);1H
InChIKeyNMNNDRXHLKZKLW-UHFFFAOYSA-N
XLogP1.27
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride 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

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
CID 55823578
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
N-[3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55649543
(2S)-2-benzylsulfanyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51959331
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24540288
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
CID 43035130

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride (CID 120872676) is 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride is CC(N)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.Cl.
What is the InChIKey of 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
The InChIKey is NMNNDRXHLKZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-10(15)8-14(19)16-12-9-11(4-5-13(12)18)22(20,21)17-6-2-3-7-17;/h4-5,9-10,18H,2-3,6-8,15H2,1H3,(H,16,19);1H.
What are the key properties of 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120872676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).