4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide

C18H15ClN2O2S2 — CID 2728442

IUPAC4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(Sc2ncccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O2S2/c1-13-4-8-15(9-5-13)24-18-17(3-2-12-20-18)21-25(22,23)16-10-6-14(19)7-11-16/h2-12,21H,1H3
InChIKeySHCMXGQVRFDZPJ-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.00
Rot. Bonds5

About 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide

4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide (PubChem CID 2728442) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide
PubChem CID2728442
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC Name4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(Sc2ncccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O2S2/c1-13-4-8-15(9-5-13)24-18-17(3-2-12-20-18)21-25(22,23)16-10-6-14(19)7-11-16/h2-12,21H,1H3
InChIKeySHCMXGQVRFDZPJ-UHFFFAOYSA-N
XLogP5.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide (CID 2728442) is 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide is Cc1ccc(Sc2ncccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide?
The InChIKey is SHCMXGQVRFDZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c1-13-4-8-15(9-5-13)24-18-17(3-2-12-20-18)21-25(22,23)16-10-6-14(19)7-11-16/h2-12,21H,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide has a molecular weight of 390.92 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 2728442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).