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

C11H10ClNO2S3 — CID 132819875

IUPAC5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
InChIKeyYITSBZGLCZKZEB-UHFFFAOYSA-N
MW319.86 g/mol
LogP3.34
Rot. Bonds4

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

5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide (PubChem CID 132819875) has the molecular formula C11H10ClNO2S3 and a molecular weight of 319.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
PubChem CID132819875
Molecular FormulaC11H10ClNO2S3
Molecular Weight319.86 g/mol
Exact Mass318.96
IUPAC Name5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
InChIKeyYITSBZGLCZKZEB-UHFFFAOYSA-N
XLogP3.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide (CID 132819875) is 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide?
The InChIKey is YITSBZGLCZKZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15).
What are the key properties of 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide?
5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide has a molecular weight of 319.86 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 132819875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).