3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

C19H22ClFN2O2S — CID 71730035

IUPAC3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN2O2S/c20-18-14-17(8-9-19(18)21)26(24,25)22-16-6-4-15(5-7-16)10-13-23-11-2-1-3-12-23/h4-9,14,22H,1-3,10-13H2
InChIKeyYSXXNKDCUHOKJD-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.31
Rot. Bonds6

About 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (PubChem CID 71730035) has the molecular formula C19H22ClFN2O2S and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
PubChem CID71730035
Molecular FormulaC19H22ClFN2O2S
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Name3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN2O2S/c20-18-14-17(8-9-19(18)21)26(24,25)22-16-6-4-15(5-7-16)10-13-23-11-2-1-3-12-23/h4-9,14,22H,1-3,10-13H2
InChIKeyYSXXNKDCUHOKJD-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 71584155
4-chloro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738592
2-chloro-4-fluoro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738595
4-(3-chloro-4-fluorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide
CID 44425702
3-chloro-2-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526699
4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526700
3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride
CID 44536138
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432
4-chloro-N-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]benzenesulfonamide
CID 91800815
N-(4-benzylphenyl)-3-chlorobenzenesulfonamide
CID 134144424
3-chloro-N-(4-phenylphenyl)benzenesulfonamide
CID 134146714
4-chloro-N-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-N-methylbenzenesulfonamide;dihydrochloride
CID 145966143

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (CID 71730035) is 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The InChIKey is YSXXNKDCUHOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2S/c20-18-14-17(8-9-19(18)21)26(24,25)22-16-6-4-15(5-7-16)10-13-23-11-2-1-3-12-23/h4-9,14,22H,1-3,10-13H2.
What are the key properties of 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide has a molecular weight of 396.92 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71730035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).