5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide

C11H8N2O3S2 — CID 106269600

IUPAC5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C11H8N2O3S2/c12-7-10-5-6-11(17-10)18(15,16)13-8-1-3-9(14)4-2-8/h1-6,13-14H
InChIKeyPKBMFCHDTWHIRQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.13
Rot. Bonds3

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

5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide (PubChem CID 106269600) has the molecular formula C11H8N2O3S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
PubChem CID106269600
Molecular FormulaC11H8N2O3S2
Molecular Weight280.33 g/mol
Exact Mass280.00
IUPAC Name5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C11H8N2O3S2/c12-7-10-5-6-11(17-10)18(15,16)13-8-1-3-9(14)4-2-8/h1-6,13-14H
InChIKeyPKBMFCHDTWHIRQ-UHFFFAOYSA-N
XLogP2.13
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 106267245
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
5-cyano-N-quinolin-3-ylthiophene-2-sulfonamide
CID 106268092
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide (CID 106269600) is 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1.
What is the InChIKey of 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide?
The InChIKey is PKBMFCHDTWHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S2/c12-7-10-5-6-11(17-10)18(15,16)13-8-1-3-9(14)4-2-8/h1-6,13-14H.
What are the key properties of 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide?
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide has a molecular weight of 280.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).