5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

C14H22ClFN2O2S — CID 119970327

IUPAC5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-10-5-6-13(15)8-14(10)20(18,19)17-11(2)12-4-3-7-16-9-12;/h5-6,8,11-12,16-17H,3-4,7,9H2,1-2H3;1H
InChIKeyDMLUUFIJCOYHPL-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.22
Rot. Bonds4

About 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119970327) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119970327
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC Name5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-10-5-6-13(15)8-14(10)20(18,19)17-11(2)12-4-3-7-16-9-12;/h5-6,8,11-12,16-17H,3-4,7,9H2,1-2H3;1H
InChIKeyDMLUUFIJCOYHPL-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119970327) is 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is Cc1ccc(F)cc1S(=O)(=O)NC(C)C1CCCNC1.Cl.
What is the InChIKey of 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is DMLUUFIJCOYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c1-10-5-6-13(15)8-14(10)20(18,19)17-11(2)12-4-3-7-16-9-12;/h5-6,8,11-12,16-17H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).