4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide

C8H13NO5S3 — CID 14700386

IUPAC4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide
SMILESCCC(O)c1cc(S(N)(=O)=O)sc1S(C)(=O)=O
InChIInChI=1S/C8H13NO5S3/c1-3-6(10)5-4-7(17(9,13)14)15-8(5)16(2,11)12/h4,6,10H,3H2,1-2H3,(H2,9,13,14)
InChIKeyHECKWPACSWJSNY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.24
Rot. Bonds4

About 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide

4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide (PubChem CID 14700386) has the molecular formula C8H13NO5S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide
PubChem CID14700386
Molecular FormulaC8H13NO5S3
Molecular Weight299.40 g/mol
Exact Mass299.00
IUPAC Name4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide
SMILESCCC(O)c1cc(S(N)(=O)=O)sc1S(C)(=O)=O
InChIInChI=1S/C8H13NO5S3/c1-3-6(10)5-4-7(17(9,13)14)15-8(5)16(2,11)12/h4,6,10H,3H2,1-2H3,(H2,9,13,14)
InChIKeyHECKWPACSWJSNY-UHFFFAOYSA-N
XLogP0.24
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide (CID 14700386) is 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide is CCC(O)c1cc(S(N)(=O)=O)sc1S(C)(=O)=O.
What is the InChIKey of 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide?
The InChIKey is HECKWPACSWJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5S3/c1-3-6(10)5-4-7(17(9,13)14)15-8(5)16(2,11)12/h4,6,10H,3H2,1-2H3,(H2,9,13,14).
What are the key properties of 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide?
4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 14700386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).