4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide

C13H16N2O4S — CID 60863260

IUPAC4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C13H16N2O4S/c14-13(17)4-1-9-15-20(18,19)12-7-5-11(6-8-12)3-2-10-16/h5-8,15-16H,1,4,9-10H2,(H2,14,17)
InChIKeyDJOPMPDYIGAVIU-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.43
Rot. Bonds6

About 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide

4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide (PubChem CID 60863260) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
PubChem CID60863260
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C13H16N2O4S/c14-13(17)4-1-9-15-20(18,19)12-7-5-11(6-8-12)3-2-10-16/h5-8,15-16H,1,4,9-10H2,(H2,14,17)
InChIKeyDJOPMPDYIGAVIU-UHFFFAOYSA-N
XLogP-0.43
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide 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

3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
4-(3-hydroxyprop-1-ynyl)-N-propylbenzenesulfonamide
CID 60824098
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863085
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
5-[(4-carbamothioylphenyl)sulfonylamino]pentanamide
CID 106237168
N-(2,2-dimethylbutyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 103464025
2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]ethylurea
CID 83115510
4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63004010
4-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 62104166
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240785
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403
N-(4-amino-4-oxobutyl)-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 60864702

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide?
The IUPAC name of 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide (CID 60863260) is 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide.
What is the SMILES notation for 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide?
The canonical SMILES for 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide is NC(=O)CCCNS(=O)(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide?
The InChIKey is DJOPMPDYIGAVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-13(17)4-1-9-15-20(18,19)12-7-5-11(6-8-12)3-2-10-16/h5-8,15-16H,1,4,9-10H2,(H2,14,17).
What are the key properties of 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide?
4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide has a molecular weight of 296.35 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide is sourced from PubChem (CID 60863260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).