N-(4-butylphenyl)thiophene-2-sulfonamide

C14H17NO2S2 — CID 2133742

IUPACN-(4-butylphenyl)thiophene-2-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17NO2S2/c1-2-3-5-12-7-9-13(10-8-12)15-19(16,17)14-6-4-11-18-14/h4,6-11,15H,2-3,5H2,1H3
InChIKeyVAEVVOVFCIBMLC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.89
Rot. Bonds6

About N-(4-butylphenyl)thiophene-2-sulfonamide

N-(4-butylphenyl)thiophene-2-sulfonamide (PubChem CID 2133742) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-butylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)thiophene-2-sulfonamide
PubChem CID2133742
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(4-butylphenyl)thiophene-2-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17NO2S2/c1-2-3-5-12-7-9-13(10-8-12)15-19(16,17)14-6-4-11-18-14/h4,6-11,15H,2-3,5H2,1H3
InChIKeyVAEVVOVFCIBMLC-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-butylphenyl)thiophene-2-sulfonamide (CID 2133742) is N-(4-butylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-butylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-butylphenyl)thiophene-2-sulfonamide is CCCCc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-butylphenyl)thiophene-2-sulfonamide?
The InChIKey is VAEVVOVFCIBMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-2-3-5-12-7-9-13(10-8-12)15-19(16,17)14-6-4-11-18-14/h4,6-11,15H,2-3,5H2,1H3.
What are the key properties of N-(4-butylphenyl)thiophene-2-sulfonamide?
N-(4-butylphenyl)thiophene-2-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2133742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).