5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide

C13H12N2O3S2 — CID 106267494

IUPAC5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C13H12N2O3S2/c14-9-12-5-6-13(19-12)20(17,18)15-8-7-10-1-3-11(16)4-2-10/h1-6,15-16H,7-8H2
InChIKeyUYTCLUBIYKAMQU-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.85
Rot. Bonds5

About 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide

5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106267494) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID106267494
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C13H12N2O3S2/c14-9-12-5-6-13(19-12)20(17,18)15-8-7-10-1-3-11(16)4-2-10/h1-6,15-16H,7-8H2
InChIKeyUYTCLUBIYKAMQU-UHFFFAOYSA-N
XLogP1.85
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide (CID 106267494) is 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)s1.
What is the InChIKey of 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is UYTCLUBIYKAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c14-9-12-5-6-13(19-12)20(17,18)15-8-7-10-1-3-11(16)4-2-10/h1-6,15-16H,7-8H2.
What are the key properties of 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106267494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).