2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide

C15H14N2O2S2 — CID 71973604

IUPAC2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccccc2c1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C15H14N2O2S2/c1-11-15(13-7-2-3-8-14(13)20-11)21(18,19)17-10-12-6-4-5-9-16-12/h2-9,17H,10H2,1H3
InChIKeyIPCFGRRIALYRPL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide

2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide (PubChem CID 71973604) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide
PubChem CID71973604
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccccc2c1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C15H14N2O2S2/c1-11-15(13-7-2-3-8-14(13)20-11)21(18,19)17-10-12-6-4-5-9-16-12/h2-9,17H,10H2,1H3
InChIKeyIPCFGRRIALYRPL-UHFFFAOYSA-N
XLogP3.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide (CID 71973604) is 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide is Cc1sc2ccccc2c1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide?
The InChIKey is IPCFGRRIALYRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-11-15(13-7-2-3-8-14(13)20-11)21(18,19)17-10-12-6-4-5-9-16-12/h2-9,17H,10H2,1H3.
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide?
2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71973604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).