N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride

C18H27ClFN3O3S — CID 119774617

IUPACN-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCC(NS(=O)(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H26FN3O3S.ClH/c19-14-5-2-8-17(11-14)26(24,25)21-16-7-3-9-22(12-16)18(23)13-4-1-6-15(20)10-13;/h2,5,8,11,13,15-16,21H,1,3-4,6-7,9-10,12,20H2;1H
InChIKeyWTPGPMVLIKCJDD-UHFFFAOYSA-N
MW419.95 g/mol
LogP2.03
Rot. Bonds4

About N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride

N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119774617) has the molecular formula C18H27ClFN3O3S and a molecular weight of 419.95 g/mol. Its IUPAC name is N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID119774617
Molecular FormulaC18H27ClFN3O3S
Molecular Weight419.95 g/mol
Exact Mass419.14
IUPAC NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCC(NS(=O)(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H26FN3O3S.ClH/c19-14-5-2-8-17(11-14)26(24,25)21-16-7-3-9-22(12-16)18(23)13-4-1-6-15(20)10-13;/h2,5,8,11,13,15-16,21H,1,3-4,6-7,9-10,12,20H2;1H
InChIKeyWTPGPMVLIKCJDD-UHFFFAOYSA-N
XLogP2.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 119732695
3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide
CID 120931129
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
N-[1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687849
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
CID 138997785
3-fluoro-N-[1-(2-methyl-3-phenylsulfanylpropanoyl)piperidin-3-yl]benzenesulfonamide
CID 86935365
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride (CID 119774617) is N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride is Cl.NC1CCCC(C(=O)N2CCCC(NS(=O)(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is WTPGPMVLIKCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S.ClH/c19-14-5-2-8-17(11-14)26(24,25)21-16-7-3-9-22(12-16)18(23)13-4-1-6-15(20)10-13;/h2,5,8,11,13,15-16,21H,1,3-4,6-7,9-10,12,20H2;1H.
What are the key properties of N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 419.95 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119774617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).