N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide

C16H13ClN2O3S3 — CID 2820424

IUPACN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3S3/c1-24(20,13-7-5-12(17)6-8-13)19-25(21,22)16-10-9-15(23-16)14-4-2-3-11-18-14/h2-11H,1H3
InChIKeyOHJZWPYLBMVYLJ-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.31
Rot. Bonds4

About N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 2820424) has the molecular formula C16H13ClN2O3S3 and a molecular weight of 412.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID2820424
Molecular FormulaC16H13ClN2O3S3
Molecular Weight412.95 g/mol
Exact Mass411.98
IUPAC NameN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3S3/c1-24(20,13-7-5-12(17)6-8-13)19-25(21,22)16-10-9-15(23-16)14-4-2-3-11-18-14/h2-11H,1H3
InChIKeyOHJZWPYLBMVYLJ-UHFFFAOYSA-N
XLogP4.31
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 2820424) is N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide is CS(=O)(=NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is OHJZWPYLBMVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S3/c1-24(20,13-7-5-12(17)6-8-13)19-25(21,22)16-10-9-15(23-16)14-4-2-3-11-18-14/h2-11H,1H3.
What are the key properties of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 412.95 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2820424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).