4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide

C19H20ClFN2O4S — CID 78800534

IUPAC4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C19H20ClFN2O4S/c1-22(14-6-4-13(21)5-7-14)28(26,27)16-8-9-18(20)17(11-16)19(25)23-10-2-3-15(24)12-23/h4-9,11,15,24H,2-3,10,12H2,1H3
InChIKeyKHAUEVPKDIBQIP-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide

4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide (PubChem CID 78800534) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide
PubChem CID78800534
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC Name4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C19H20ClFN2O4S/c1-22(14-6-4-13(21)5-7-14)28(26,27)16-8-9-18(20)17(11-16)19(25)23-10-2-3-15(24)12-23/h4-9,11,15,24H,2-3,10,12H2,1H3
InChIKeyKHAUEVPKDIBQIP-UHFFFAOYSA-N
XLogP2.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 24983157
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 26535482
4-chloro-N-(4-fluorophenyl)-N-methyl-3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 42907637
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 125043302
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
4-chloro-N-(4-fluorophenyl)-N-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 4869923
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550
N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 132662900
2-chloro-N-[2-(cyclohexanecarbonylamino)ethyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55805861
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide (CID 78800534) is 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
The InChIKey is KHAUEVPKDIBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-22(14-6-4-13(21)5-7-14)28(26,27)16-8-9-18(20)17(11-16)19(25)23-10-2-3-15(24)12-23/h4-9,11,15,24H,2-3,10,12H2,1H3.
What are the key properties of 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide?
4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide has a molecular weight of 426.90 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 78800534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).