3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

C20H22ClFN2O3S — CID 43010282

IUPAC3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESCC1CC(C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1
InChIInChI=1S/C20H22ClFN2O3S/c1-13-9-14(2)12-24(11-13)20(25)15-3-5-16(6-4-15)23-28(26,27)17-7-8-19(22)18(21)10-17/h3-8,10,13-14,23H,9,11-12H2,1-2H3
InChIKeyHVNJMSHXKCOUHX-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.40
Rot. Bonds4

About 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 43010282) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID43010282
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESCC1CC(C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1
InChIInChI=1S/C20H22ClFN2O3S/c1-13-9-14(2)12-24(11-13)20(25)15-3-5-16(6-4-15)23-28(26,27)17-7-8-19(22)18(21)10-17/h3-8,10,13-14,23H,9,11-12H2,1-2H3
InChIKeyHVNJMSHXKCOUHX-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-fluoro-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112771520
methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (CID 43010282) is 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is CC1CC(C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1.
What is the InChIKey of 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is HVNJMSHXKCOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-13-9-14(2)12-24(11-13)20(25)15-3-5-16(6-4-15)23-28(26,27)17-7-8-19(22)18(21)10-17/h3-8,10,13-14,23H,9,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 424.93 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43010282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).