5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

C12H10N2O3S2 — CID 106272386

IUPAC5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(CO)c2)s1
InChIInChI=1S/C12H10N2O3S2/c13-7-11-4-5-12(18-11)19(16,17)14-10-3-1-2-9(6-10)8-15/h1-6,14-15H,8H2
InChIKeyXOAPREBARWATBX-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.91
Rot. Bonds4

About 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 106272386) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
PubChem CID106272386
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC Name5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(CO)c2)s1
InChIInChI=1S/C12H10N2O3S2/c13-7-11-4-5-12(18-11)19(16,17)14-10-3-1-2-9(6-10)8-15/h1-6,14-15H,8H2
InChIKeyXOAPREBARWATBX-UHFFFAOYSA-N
XLogP1.91
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
methyl 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoate
CID 106273151
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
5-cyano-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 106266893
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (CID 106272386) is 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cccc(CO)c2)s1.
What is the InChIKey of 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XOAPREBARWATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c13-7-11-4-5-12(18-11)19(16,17)14-10-3-1-2-9(6-10)8-15/h1-6,14-15H,8H2.
What are the key properties of 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 294.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106272386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).