4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C12H16ClF3N2O3S — CID 120874438

IUPAC4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C12H15F3N2O3S.ClH/c13-10-7-9(1-2-11(10)20-12(14)15)21(18,19)17-8-3-5-16-6-4-8;/h1-2,7-8,12,16-17H,3-6H2;1H
InChIKeySRMCMJPOPGOJGW-UHFFFAOYSA-N
MW360.79 g/mol
LogP1.88
Rot. Bonds5

About 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 120874438) has the molecular formula C12H16ClF3N2O3S and a molecular weight of 360.79 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID120874438
Molecular FormulaC12H16ClF3N2O3S
Molecular Weight360.79 g/mol
Exact Mass360.05
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C12H15F3N2O3S.ClH/c13-10-7-9(1-2-11(10)20-12(14)15)21(18,19)17-8-3-5-16-6-4-8;/h1-2,7-8,12,16-17H,3-6H2;1H
InChIKeySRMCMJPOPGOJGW-UHFFFAOYSA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride
CID 120875272
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
4-(difluoromethoxy)-3-fluoro-N-[[(2S)-piperidin-2-yl]methyl]benzenesulfonamide
CID 124741535
4-(difluoromethoxy)-3-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120874605
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 120874438) is 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is SRMCMJPOPGOJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S.ClH/c13-10-7-9(1-2-11(10)20-12(14)15)21(18,19)17-8-3-5-16-6-4-8;/h1-2,7-8,12,16-17H,3-6H2;1H.
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 360.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120874438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).