6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide

C13H12Cl2N2O2S2 — CID 28533546

IUPAC6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H12Cl2N2O2S2/c14-10-1-3-11(4-2-10)20-8-7-17-21(18,19)12-5-6-13(15)16-9-12/h1-6,9,17H,7-8H2
InChIKeyYRBCSFDNZAWRCB-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.46
Rot. Bonds6

About 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide

6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide (PubChem CID 28533546) has the molecular formula C13H12Cl2N2O2S2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
PubChem CID28533546
Molecular FormulaC13H12Cl2N2O2S2
Molecular Weight363.29 g/mol
Exact Mass361.97
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H12Cl2N2O2S2/c14-10-1-3-11(4-2-10)20-8-7-17-21(18,19)12-5-6-13(15)16-9-12/h1-6,9,17H,7-8H2
InChIKeyYRBCSFDNZAWRCB-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
N-[2-(4-chlorophenyl)sulfanylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31078383
N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide
CID 8801394
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
CID 26948560
4-chloro-N-[3-(3,4-dichlorophenyl)sulfanylpropyl]benzenesulfonamide
CID 70120495
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide (CID 28533546) is 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide is O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide?
The InChIKey is YRBCSFDNZAWRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S2/c14-10-1-3-11(4-2-10)20-8-7-17-21(18,19)12-5-6-13(15)16-9-12/h1-6,9,17H,7-8H2.
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide has a molecular weight of 363.29 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 28533546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).