N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide

C18H19F2N3O3S — CID 119270164

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCCN1
InChIInChI=1S/C18H19F2N3O3S/c19-15-9-8-14(11-16(15)20)27(25,26)23-13-6-4-12(5-7-13)22-18(24)17-3-1-2-10-21-17/h4-9,11,17,21,23H,1-3,10H2,(H,22,24)
InChIKeyBPGWGFQPHNITKC-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.85
Rot. Bonds5

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide (PubChem CID 119270164) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
PubChem CID119270164
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCCN1
InChIInChI=1S/C18H19F2N3O3S/c19-15-9-8-14(11-16(15)20)27(25,26)23-13-6-4-12(5-7-13)22-18(24)17-3-1-2-10-21-17/h4-9,11,17,21,23H,1-3,10H2,(H,22,24)
InChIKeyBPGWGFQPHNITKC-UHFFFAOYSA-N
XLogP2.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103808975
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
6-[[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42889557
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide (CID 119270164) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CCCCN1.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide?
The InChIKey is BPGWGFQPHNITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-15-9-8-14(11-16(15)20)27(25,26)23-13-6-4-12(5-7-13)22-18(24)17-3-1-2-10-21-17/h4-9,11,17,21,23H,1-3,10H2,(H,22,24).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119270164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).