5-(3-oxobutyl)thiophene-2-sulfonamide

C8H11NO3S2 — CID 22147785

IUPAC5-(3-oxobutyl)thiophene-2-sulfonamide
SMILESCC(=O)CCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H11NO3S2/c1-6(10)2-3-7-4-5-8(13-7)14(9,11)12/h4-5H,2-3H2,1H3,(H2,9,11,12)
InChIKeyQFEKQWOQQRLDDG-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.92
Rot. Bonds4

About 5-(3-oxobutyl)thiophene-2-sulfonamide

5-(3-oxobutyl)thiophene-2-sulfonamide (PubChem CID 22147785) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(3-oxobutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-oxobutyl)thiophene-2-sulfonamide
PubChem CID22147785
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name5-(3-oxobutyl)thiophene-2-sulfonamide
SMILESCC(=O)CCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H11NO3S2/c1-6(10)2-3-7-4-5-8(13-7)14(9,11)12/h4-5H,2-3H2,1H3,(H2,9,11,12)
InChIKeyQFEKQWOQQRLDDG-UHFFFAOYSA-N
XLogP0.92
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
N,N-diethyl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 61068995
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxobutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(3-oxobutyl)thiophene-2-sulfonamide (CID 22147785) is 5-(3-oxobutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-oxobutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-oxobutyl)thiophene-2-sulfonamide is CC(=O)CCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-(3-oxobutyl)thiophene-2-sulfonamide?
The InChIKey is QFEKQWOQQRLDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-6(10)2-3-7-4-5-8(13-7)14(9,11)12/h4-5H,2-3H2,1H3,(H2,9,11,12).
What are the key properties of 5-(3-oxobutyl)thiophene-2-sulfonamide?
5-(3-oxobutyl)thiophene-2-sulfonamide has a molecular weight of 233.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxobutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 22147785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).