N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride

C17H18ClF3N2O2S — CID 120724371

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CNCCC1c1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H17F3N2O2S.ClH/c18-12-2-1-3-13(9-12)25(23,24)22-17-10-21-7-6-14(17)11-4-5-15(19)16(20)8-11;/h1-5,8-9,14,17,21-22H,6-7,10H2;1H
InChIKeyFYPNKIKKOHJOSB-UHFFFAOYSA-N
MW406.86 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120724371) has the molecular formula C17H18ClF3N2O2S and a molecular weight of 406.86 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID120724371
Molecular FormulaC17H18ClF3N2O2S
Molecular Weight406.86 g/mol
Exact Mass406.07
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CNCCC1c1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H17F3N2O2S.ClH/c18-12-2-1-3-13(9-12)25(23,24)22-17-10-21-7-6-14(17)11-4-5-15(19)16(20)8-11;/h1-5,8-9,14,17,21-22H,6-7,10H2;1H
InChIKeyFYPNKIKKOHJOSB-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120724373
N-[(3R,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 178191044
N-[(3S,4R)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 165494148
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
CID 120724398
N-[(3R,4S)-4-(3-fluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 178194828
N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride
CID 120724421
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120724389
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 120724358
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724417
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120724404

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride (CID 120724371) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CNCCC1c1ccc(F)c(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is FYPNKIKKOHJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S.ClH/c18-12-2-1-3-13(9-12)25(23,24)22-17-10-21-7-6-14(17)11-4-5-15(19)16(20)8-11;/h1-5,8-9,14,17,21-22H,6-7,10H2;1H.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 406.86 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).