4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide

C17H16N2O4S3 — CID 2738788

IUPAC4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C17H16N2O4S3/c20-25(21,15-7-2-1-3-8-15)16-12-17(24-13-16)26(22,23)19-11-9-14-6-4-5-10-18-14/h1-8,10,12-13,19H,9,11H2
InChIKeyIPWNYUQJCCGHJH-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.50
Rot. Bonds7

About 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide

4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 2738788) has the molecular formula C17H16N2O4S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
PubChem CID2738788
Molecular FormulaC17H16N2O4S3
Molecular Weight408.53 g/mol
Exact Mass408.03
IUPAC Name4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C17H16N2O4S3/c20-25(21,15-7-2-1-3-8-15)16-12-17(24-13-16)26(22,23)19-11-9-14-6-4-5-10-18-14/h1-8,10,12-13,19H,9,11H2
InChIKeyIPWNYUQJCCGHJH-UHFFFAOYSA-N
XLogP2.50
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide (CID 2738788) is 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide is O=S(=O)(NCCc1ccccn1)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is IPWNYUQJCCGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S3/c20-25(21,15-7-2-1-3-8-15)16-12-17(24-13-16)26(22,23)19-11-9-14-6-4-5-10-18-14/h1-8,10,12-13,19H,9,11H2.
What are the key properties of 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 408.53 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2738788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).