N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide

C18H26F2N2O2S — CID 51127509

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC2CCCCC2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H26F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h6-7,12,14-15,21H,1-5,8-11,13H2
InChIKeyISIMPPRIATWUBL-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.29
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide (PubChem CID 51127509) has the molecular formula C18H26F2N2O2S and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
PubChem CID51127509
Molecular FormulaC18H26F2N2O2S
Molecular Weight372.48 g/mol
Exact Mass372.17
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC2CCCCC2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H26F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h6-7,12,14-15,21H,1-5,8-11,13H2
InChIKeyISIMPPRIATWUBL-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
CID 71685677
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119930553
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide (CID 51127509) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide is O=S(=O)(NC1CCN(CC2CCCCC2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide?
The InChIKey is ISIMPPRIATWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h6-7,12,14-15,21H,1-5,8-11,13H2.
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide has a molecular weight of 372.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 51127509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).