2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C13H18ClFN2O2S — CID 115752267

IUPAC2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCNC1
InChIInChI=1S/C13H18ClFN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-7-11(15)4-5-12(13)14/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3
InChIKeyHTOWCHBWEGZVEQ-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 115752267) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID115752267
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCNC1
InChIInChI=1S/C13H18ClFN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-7-11(15)4-5-12(13)14/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3
InChIKeyHTOWCHBWEGZVEQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
2-chloro-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970329
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 115752267) is 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCNC1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is HTOWCHBWEGZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-7-11(15)4-5-12(13)14/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 115752267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).