N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide

C22H26Cl2F4N4O4S2 — CID 89396719

IUPACN-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1Cl)N1CCC(F)CC1.O=S(=O)(Nc1cc(F)ccc1F)N1CCC(F)CC1
InChIInChI=1S/C11H13Cl2FN2O2S.C11H13F3N2O2S/c12-9-2-1-3-10(13)11(9)15-19(17,18)16-6-4-8(14)5-7-16;12-8-3-5-16(6-4-8)19(17,18)15-11-7-9(13)1-2-10(11)14/h1-3,8,15H,4-7H2;1-2,7-8,15H,3-6H2
InChIKeyVGZQGXKBYVAABG-UHFFFAOYSA-N
MW621.51 g/mol
LogP5.14
Rot. Bonds6

About N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide

N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide (PubChem CID 89396719) has the molecular formula C22H26Cl2F4N4O4S2 and a molecular weight of 621.51 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide
PubChem CID89396719
Molecular FormulaC22H26Cl2F4N4O4S2
Molecular Weight621.51 g/mol
Exact Mass620.07
IUPAC NameN-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1Cl)N1CCC(F)CC1.O=S(=O)(Nc1cc(F)ccc1F)N1CCC(F)CC1
InChIInChI=1S/C11H13Cl2FN2O2S.C11H13F3N2O2S/c12-9-2-1-3-10(13)11(9)15-19(17,18)16-6-4-8(14)5-7-16;12-8-3-5-16(6-4-8)19(17,18)15-11-7-9(13)1-2-10(11)14/h1-3,8,15H,4-7H2;1-2,7-8,15H,3-6H2
InChIKeyVGZQGXKBYVAABG-UHFFFAOYSA-N
XLogP5.14
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.51
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
CID 62084795
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
CID 106037007
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide (CID 89396719) is N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide is O=S(=O)(Nc1c(Cl)cccc1Cl)N1CCC(F)CC1.O=S(=O)(Nc1cc(F)ccc1F)N1CCC(F)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide?
The InChIKey is VGZQGXKBYVAABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O2S.C11H13F3N2O2S/c12-9-2-1-3-10(13)11(9)15-19(17,18)16-6-4-8(14)5-7-16;12-8-3-5-16(6-4-8)19(17,18)15-11-7-9(13)1-2-10(11)14/h1-3,8,15H,4-7H2;1-2,7-8,15H,3-6H2.
What are the key properties of N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide?
N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide has a molecular weight of 621.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-fluoropiperidine-1-sulfonamide;N-(2,5-difluorophenyl)-4-fluoropiperidine-1-sulfonamide is sourced from PubChem (CID 89396719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).