2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide

C13H11ClF2N2O2S — CID 61041711

IUPAC2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1Cl)c1c(F)cccc1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-8(12-9(15)4-2-5-10(12)16)18-21(19,20)11-6-3-7-17-13(11)14/h2-8,18H,1H3
InChIKeyWPRNABDLJFVGAN-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide

2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 61041711) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID61041711
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1Cl)c1c(F)cccc1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-8(12-9(15)4-2-5-10(12)16)18-21(19,20)11-6-3-7-17-13(11)14/h2-8,18H,1H3
InChIKeyWPRNABDLJFVGAN-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
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4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
4-chloro-N-[8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)ethyl]octyl]benzenesulfonamide
CID 14986690
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
3-{1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide (CID 61041711) is 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cccnc1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is WPRNABDLJFVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-8(12-9(15)4-2-5-10(12)16)18-21(19,20)11-6-3-7-17-13(11)14/h2-8,18H,1H3.
What are the key properties of 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide?
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 332.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).