5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide

C12H10N2O2S3 — CID 134137058

IUPAC5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H10N2O2S3/c13-7-9-1-3-10(4-2-9)8-17-11-5-6-12(18-11)19(14,15)16/h1-6H,8H2,(H2,14,15,16)
InChIKeyBJXYINRIDWQJFC-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.56
Rot. Bonds4

About 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide

5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide (PubChem CID 134137058) has the molecular formula C12H10N2O2S3 and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide
PubChem CID134137058
Molecular FormulaC12H10N2O2S3
Molecular Weight310.43 g/mol
Exact Mass309.99
IUPAC Name5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H10N2O2S3/c13-7-9-1-3-10(4-2-9)8-17-11-5-6-12(18-11)19(14,15)16/h1-6H,8H2,(H2,14,15,16)
InChIKeyBJXYINRIDWQJFC-UHFFFAOYSA-N
XLogP2.56
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide (CID 134137058) is 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide is N#Cc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide?
The InChIKey is BJXYINRIDWQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S3/c13-7-9-1-3-10(4-2-9)8-17-11-5-6-12(18-11)19(14,15)16/h1-6H,8H2,(H2,14,15,16).
What are the key properties of 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide?
5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide has a molecular weight of 310.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134137058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).