N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C22H22FN3O3S — CID 100799067

IUPACN-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#CC1(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C22H22FN3O3S/c23-18-3-7-20(8-4-18)30(28,29)26-13-9-16(10-14-26)21(27)25-19-5-1-17(2-6-19)22(15-24)11-12-22/h1-8,16H,9-14H2,(H,25,27)
InChIKeyNMNGTIOMLIJWQY-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100799067) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100799067
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC NameN-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#CC1(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C22H22FN3O3S/c23-18-3-7-20(8-4-18)30(28,29)26-13-9-16(10-14-26)21(27)25-19-5-1-17(2-6-19)22(15-24)11-12-22/h1-8,16H,9-14H2,(H,25,27)
InChIKeyNMNGTIOMLIJWQY-UHFFFAOYSA-N
XLogP3.42
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55907296
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223995
1-(4-fluorophenyl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 56559263

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 100799067) is N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is N#CC1(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1.
What is the InChIKey of N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is NMNGTIOMLIJWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c23-18-3-7-20(8-4-18)30(28,29)26-13-9-16(10-14-26)21(27)25-19-5-1-17(2-6-19)22(15-24)11-12-22/h1-8,16H,9-14H2,(H,25,27).
What are the key properties of N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopropyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100799067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).