N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane

C25H25ClF2N2O3S — CID 159944956

IUPACN-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane
SMILESC.O=C(c1ccccc1)N1CCC(N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H21ClF2N2O3S.CH4/c25-18-6-9-21(10-7-18)33(31,32)29(23-16-19(26)8-11-22(23)27)20-12-14-28(15-13-20)24(30)17-4-2-1-3-5-17;/h1-11,16,20H,12-15H2;1H4
InChIKeyOBJDYYBGFWFQJL-UHFFFAOYSA-N
MW507.00 g/mol
LogP5.75
Rot. Bonds5

About N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane

N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane (PubChem CID 159944956) has the molecular formula C25H25ClF2N2O3S and a molecular weight of 507.00 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane
PubChem CID159944956
Molecular FormulaC25H25ClF2N2O3S
Molecular Weight507.00 g/mol
Exact Mass506.12
IUPAC NameN-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane
SMILESC.O=C(c1ccccc1)N1CCC(N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H21ClF2N2O3S.CH4/c25-18-6-9-21(10-7-18)33(31,32)29(23-16-19(26)8-11-22(23)27)20-12-14-28(15-13-20)24(30)17-4-2-1-3-5-17;/h1-11,16,20H,12-15H2;1H4
InChIKeyOBJDYYBGFWFQJL-UHFFFAOYSA-N
XLogP5.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.00
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 58718366
4-chloro-N-(2,5-difluorophenyl)-N-[1-[4-(hydroxyamino)benzoyl]azepan-4-yl]benzenesulfonamide;ethane
CID 142212485
4-chloro-N-(2,5-difluorophenyl)-N-[(3S)-1-[2-[(dimethylamino)methyl]piperazine-1-carbonyl]piperidin-3-yl]benzenesulfonamide
CID 58589396
1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 166250406
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
[1-[3-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl]piperidin-4-yl]-phenylmethanone
CID 53252904
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane (CID 159944956) is N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane is C.O=C(c1ccccc1)N1CCC(N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane?
The InChIKey is OBJDYYBGFWFQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N2O3S.CH4/c25-18-6-9-21(10-7-18)33(31,32)29(23-16-19(26)8-11-22(23)27)20-12-14-28(15-13-20)24(30)17-4-2-1-3-5-17;/h1-11,16,20H,12-15H2;1H4.
What are the key properties of N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane?
N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane has a molecular weight of 507.00 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane is sourced from PubChem (CID 159944956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).