2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C12H18ClFN2O2S — CID 120716722

IUPAC2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H]2CCCNC2)c1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-4-5-11(13)12(7-9)18(16,17)15-10-3-2-6-14-8-10;/h4-5,7,10,14-15H,2-3,6,8H2,1H3;1H/t10-;/m0./s1
InChIKeyMKAGHKLPCVGOIK-PPHPATTJSA-N
MW308.81 g/mol
LogP1.59
Rot. Bonds3

About 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride

2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120716722) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120716722
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H]2CCCNC2)c1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-4-5-11(13)12(7-9)18(16,17)15-10-3-2-6-14-8-10;/h4-5,7,10,14-15H,2-3,6,8H2,1H3;1H/t10-;/m0./s1
InChIKeyMKAGHKLPCVGOIK-PPHPATTJSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715
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-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
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
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
2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492163
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120716722) is 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCNC2)c1.Cl.
What is the InChIKey of 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is MKAGHKLPCVGOIK-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c1-9-4-5-11(13)12(7-9)18(16,17)15-10-3-2-6-14-8-10;/h4-5,7,10,14-15H,2-3,6,8H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).