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

C7H11NO5S3 — CID 14700390

IUPAC4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide
SMILESCC(O)c1cc(S(N)(=O)=O)sc1S(C)(=O)=O
InChIInChI=1S/C7H11NO5S3/c1-4(9)5-3-6(16(8,12)13)14-7(5)15(2,10)11/h3-4,9H,1-2H3,(H2,8,12,13)
InChIKeyMFYUVEHDVYWJFF-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.15
Rot. Bonds3

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

4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide (PubChem CID 14700390) has the molecular formula C7H11NO5S3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide
PubChem CID14700390
Molecular FormulaC7H11NO5S3
Molecular Weight285.37 g/mol
Exact Mass284.98
IUPAC Name4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide
SMILESCC(O)c1cc(S(N)(=O)=O)sc1S(C)(=O)=O
InChIInChI=1S/C7H11NO5S3/c1-4(9)5-3-6(16(8,12)13)14-7(5)15(2,10)11/h3-4,9H,1-2H3,(H2,8,12,13)
InChIKeyMFYUVEHDVYWJFF-UHFFFAOYSA-N
XLogP-0.15
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide (CID 14700390) is 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide is CC(O)c1cc(S(N)(=O)=O)sc1S(C)(=O)=O.
What is the InChIKey of 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide?
The InChIKey is MFYUVEHDVYWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5S3/c1-4(9)5-3-6(16(8,12)13)14-7(5)15(2,10)11/h3-4,9H,1-2H3,(H2,8,12,13).
What are the key properties of 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide?
4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 14700390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).