4-methylsulfonylthiophene-2-sulfonamide

C5H7NO4S3 — CID 123230246

IUPAC4-methylsulfonylthiophene-2-sulfonamide
SMILESCS(=O)(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C5H7NO4S3/c1-12(7,8)4-2-5(11-3-4)13(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKeyCFZBTBPVDZWRGQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP-0.20
Rot. Bonds2

About 4-methylsulfonylthiophene-2-sulfonamide

4-methylsulfonylthiophene-2-sulfonamide (PubChem CID 123230246) has the molecular formula C5H7NO4S3 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-methylsulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methylsulfonylthiophene-2-sulfonamide
PubChem CID123230246
Molecular FormulaC5H7NO4S3
Molecular Weight241.31 g/mol
Exact Mass240.95
IUPAC Name4-methylsulfonylthiophene-2-sulfonamide
SMILESCS(=O)(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C5H7NO4S3/c1-12(7,8)4-2-5(11-3-4)13(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKeyCFZBTBPVDZWRGQ-UHFFFAOYSA-N
XLogP-0.20
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Thiophenesulfonamide
CID 72881
5-(Thiophene-2-sulfonyl)thiophene-2-sulfonamide
CID 4116214
2-Thiophenesulfonyl chloride
CID 85518
5-(2-Thienylthio)thiophene-2-sulfonamide
CID 2779016
N-methylthiophene-2-sulfonamide
CID 769092
Thiophene-3-sulfonamide
CID 1201388
3-(Methylsulfonyl)thiophene
CID 248648
Thiophene-2-sulfonic acid diaminomethyleneamide
CID 10679763
2-Methylsulfonylthiophene
CID 707933
3-Methylthiophene-2-sulfonamide
CID 341083
N,N-dimethylthiophene-3-sulfonamide
CID 24229801
2,4-Thiophenedisulfonamide
CID 211062

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-methylsulfonylthiophene-2-sulfonamide (CID 123230246) is 4-methylsulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-methylsulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-methylsulfonylthiophene-2-sulfonamide is CS(=O)(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-methylsulfonylthiophene-2-sulfonamide?
The InChIKey is CFZBTBPVDZWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4S3/c1-12(7,8)4-2-5(11-3-4)13(6,9)10/h2-3H,1H3,(H2,6,9,10).
What are the key properties of 4-methylsulfonylthiophene-2-sulfonamide?
4-methylsulfonylthiophene-2-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 123230246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).