4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C20H25FN2O3S — CID 127028634

IUPAC4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O3S/c1-16-4-2-3-5-20(16)26-15-14-23-12-10-18(11-13-23)22-27(24,25)19-8-6-17(21)7-9-19/h2-9,18,22H,10-15H2,1H3
InChIKeyCNXJBRGDAVLMOF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.96
Rot. Bonds7

About 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127028634) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127028634
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O3S/c1-16-4-2-3-5-20(16)26-15-14-23-12-10-18(11-13-23)22-27(24,25)19-8-6-17(21)7-9-19/h2-9,18,22H,10-15H2,1H3
InChIKeyCNXJBRGDAVLMOF-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4-methylbenzenesulfonamide
CID 9981024
5-METHOXY-3-{N-PROPYL-N-[2-(4-TOLUENESUlFONYLAMINO)ETHYL]AMINO}CHROMAN
CID 10364722
(2S)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-piperidin-1-ylpropanamide
CID 49854406
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 127025243
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
5-Methoxy-3-{N-propyl-N-(3-(4-toluenesulfonylamino)propyl]amino}chroman
CID 9980269
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857639
3-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857794
4-(difluoromethoxy)-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 44426405
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71449643
4-Methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine
CID 146628088

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127028634) is 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is Cc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is CNXJBRGDAVLMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-16-4-2-3-5-20(16)26-15-14-23-12-10-18(11-13-23)22-27(24,25)19-8-6-17(21)7-9-19/h2-9,18,22H,10-15H2,1H3.
What are the key properties of 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127028634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).