N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C18H23F2N3O4S — CID 55760614

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H23F2N3O4S/c19-17(20)28(26,27)15-6-2-1-5-14(15)21-16(24)13-7-11-23(12-8-13)18(25)22-9-3-4-10-22/h1-2,5-6,13,17H,3-4,7-12H2,(H,21,24)
InChIKeyCXNVYJSLILZPLZ-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55760614) has the molecular formula C18H23F2N3O4S and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55760614
Molecular FormulaC18H23F2N3O4S
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H23F2N3O4S/c19-17(20)28(26,27)15-6-2-1-5-14(15)21-16(24)13-7-11-23(12-8-13)18(25)22-9-3-4-10-22/h1-2,5-6,13,17H,3-4,7-12H2,(H,21,24)
InChIKeyCXNVYJSLILZPLZ-UHFFFAOYSA-N
XLogP2.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
CID 116814067
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282595
N-pyrazolo[1,5-a]pyridin-3-yl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126841557
N-[2-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55985354
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55632825
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55760614) is N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is CXNVYJSLILZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O4S/c19-17(20)28(26,27)15-6-2-1-5-14(15)21-16(24)13-7-11-23(12-8-13)18(25)22-9-3-4-10-22/h1-2,5-6,13,17H,3-4,7-12H2,(H,21,24).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55760614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).