4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide

C13H15NO4S3 — CID 23548720

IUPAC4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C13H15NO4S3/c1-10(2)14-21(17,18)13-8-12(9-19-13)20(15,16)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChIKeyPFTUWCVXWBDFBE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.27
Rot. Bonds5

About 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide

4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 23548720) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID23548720
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC Name4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C13H15NO4S3/c1-10(2)14-21(17,18)13-8-12(9-19-13)20(15,16)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChIKeyPFTUWCVXWBDFBE-UHFFFAOYSA-N
XLogP2.27
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide (CID 23548720) is 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide is CC(C)NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is PFTUWCVXWBDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-10(2)14-21(17,18)13-8-12(9-19-13)20(15,16)11-6-4-3-5-7-11/h3-10,14H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 23548720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).