5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C11H9N3O2S2 — CID 106267194

IUPAC5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cccnc2)s1
InChIInChI=1S/C11H9N3O2S2/c12-6-10-3-4-11(17-10)18(15,16)14-8-9-2-1-5-13-7-9/h1-5,7,14H,8H2
InChIKeyHFGQFDVXOKTHKG-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.49
Rot. Bonds4

About 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106267194) has the molecular formula C11H9N3O2S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106267194
Molecular FormulaC11H9N3O2S2
Molecular Weight279.35 g/mol
Exact Mass279.01
IUPAC Name5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cccnc2)s1
InChIInChI=1S/C11H9N3O2S2/c12-6-10-3-4-11(17-10)18(15,16)14-8-9-2-1-5-13-7-9/h1-5,7,14H,8H2
InChIKeyHFGQFDVXOKTHKG-UHFFFAOYSA-N
XLogP1.49
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
4,5-dichloro-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 6737013
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272939
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 106267194) is 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCc2cccnc2)s1.
What is the InChIKey of 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is HFGQFDVXOKTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S2/c12-6-10-3-4-11(17-10)18(15,16)14-8-9-2-1-5-13-7-9/h1-5,7,14H,8H2.
What are the key properties of 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 279.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).