N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide

C16H21FN2O3S — CID 95304010

IUPACN-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
SMILESO=C(C1CCC1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O3S/c17-13-6-2-8-15(10-13)23(21,22)18-14-7-3-9-19(11-14)16(20)12-4-1-5-12/h2,6,8,10,12,14,18H,1,3-5,7,9,11H2/t14-/m0/s1
InChIKeyJOXRJLAAZWPLJK-AWEZNQCLSA-N
MW340.42 g/mol
LogP1.90
Rot. Bonds4

About N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide

N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide (PubChem CID 95304010) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
PubChem CID95304010
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
SMILESO=C(C1CCC1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O3S/c17-13-6-2-8-15(10-13)23(21,22)18-14-7-3-9-19(11-14)16(20)12-4-1-5-12/h2,6,8,10,12,14,18H,1,3-5,7,9,11H2/t14-/m0/s1
InChIKeyJOXRJLAAZWPLJK-AWEZNQCLSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119774617
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
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
N-[1-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687890
N-[1-(7-bromo-2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 167792897

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide (CID 95304010) is N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide is O=C(C1CCC1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide?
The InChIKey is JOXRJLAAZWPLJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-13-6-2-8-15(10-13)23(21,22)18-14-7-3-9-19(11-14)16(20)12-4-1-5-12/h2,6,8,10,12,14,18H,1,3-5,7,9,11H2/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide?
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide has a molecular weight of 340.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 95304010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).