N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide

C19H20F2N2O4S — CID 112843501

IUPACN-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F2N2O4S/c1-28(25,26)22-17-5-3-2-4-15(17)19(24)23-10-8-14(9-11-23)27-18-7-6-13(20)12-16(18)21/h2-7,12,14,22H,8-11H2,1H3
InChIKeyYBKDSIYUTPAGJI-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide

N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 112843501) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID112843501
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC NameN-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F2N2O4S/c1-28(25,26)22-17-5-3-2-4-15(17)19(24)23-10-8-14(9-11-23)27-18-7-6-13(20)12-16(18)21/h2-7,12,14,22H,8-11H2,1H3
InChIKeyYBKDSIYUTPAGJI-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
N-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]-4-fluorophenyl]methanesulfonamide;hydrochloride
CID 119644374
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55350252
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 112843442
3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
CID 122019186
(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 133283279
2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
CID 59326759

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 112843501) is N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is YBKDSIYUTPAGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-28(25,26)22-17-5-3-2-4-15(17)19(24)23-10-8-14(9-11-23)27-18-7-6-13(20)12-16(18)21/h2-7,12,14,22H,8-11H2,1H3.
What are the key properties of N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 410.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 112843501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).