2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C11H15ClF2N2O2S — CID 120723761

IUPAC2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCCNC1)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2S.ClH/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9;/h3-4,6,9,14-15H,1-2,5,7H2;1H/t9-;/m1./s1
InChIKeyQGWQXPDFBCKAOY-SBSPUUFOSA-N
MW312.77 g/mol
LogP1.42
Rot. Bonds3

About 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120723761) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120723761
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC Name2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@@H]1CCCNC1)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2S.ClH/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9;/h3-4,6,9,14-15H,1-2,5,7H2;1H/t9-;/m1./s1
InChIKeyQGWQXPDFBCKAOY-SBSPUUFOSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715
5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide
CID 63321601
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120723761) is 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(N[C@@H]1CCCNC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is QGWQXPDFBCKAOY-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14F2N2O2S.ClH/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9;/h3-4,6,9,14-15H,1-2,5,7H2;1H/t9-;/m1./s1.
What are the key properties of 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).