N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide

C9H11NO4S2 — CID 126830217

IUPACN-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NCC#CCO
InChIInChI=1S/C9H11NO4S2/c1-14-8-4-7-15-9(8)16(12,13)10-5-2-3-6-11/h4,7,10-11H,5-6H2,1H3
InChIKeyODQGYJGOUSYACB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.03
Rot. Bonds4

About N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide

N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide (PubChem CID 126830217) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
PubChem CID126830217
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC NameN-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NCC#CCO
InChIInChI=1S/C9H11NO4S2/c1-14-8-4-7-15-9(8)16(12,13)10-5-2-3-6-11/h4,7,10-11H,5-6H2,1H3
InChIKeyODQGYJGOUSYACB-UHFFFAOYSA-N
XLogP0.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide 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-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
N-(1-hydroxybut-3-yn-2-yl)-3-methoxythiophene-2-sulfonamide
CID 126821576
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119972633
2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
CID 155949428
N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 86780765
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311
methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 96542176
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119970815
2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide
CID 127266845

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide?
The IUPAC name of N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide (CID 126830217) is N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NCC#CCO.
What is the InChIKey of N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide?
The InChIKey is ODQGYJGOUSYACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c1-14-8-4-7-15-9(8)16(12,13)10-5-2-3-6-11/h4,7,10-11H,5-6H2,1H3.
What are the key properties of N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide?
N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 126830217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).