2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide

C12H17FN2O2S — CID 124625901

IUPAC2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCNC2)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-12(11(13)7-9)18(16,17)15-10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyLYLFHKKGGSQREX-JTQLQIEISA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds3

About 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide

2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 124625901) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID124625901
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCNC2)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-12(11(13)7-9)18(16,17)15-10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyLYLFHKKGGSQREX-JTQLQIEISA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
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-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
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
2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964596
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 124625901) is 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is LYLFHKKGGSQREX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-4-5-12(11(13)7-9)18(16,17)15-10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3/t10-/m0/s1.
What are the key properties of 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 124625901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).