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

C12H13NO3S3 — CID 15599374

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKeyWYFYUCOXWDKJJM-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.70
Rot. Bonds5

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

5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide (PubChem CID 15599374) has the molecular formula C12H13NO3S3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide
PubChem CID15599374
Molecular FormulaC12H13NO3S3
Molecular Weight315.44 g/mol
Exact Mass315.01
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKeyWYFYUCOXWDKJJM-UHFFFAOYSA-N
XLogP2.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide (CID 15599374) is 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide is COc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide?
The InChIKey is WYFYUCOXWDKJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15).
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide?
5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylsulfanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15599374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).