4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride

C15H24ClFN2O2S — CID 120720559

IUPAC4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(C)CCNCC2)cc(C)c1F.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-11-8-13(9-12(2)14(11)16)21(19,20)18-10-15(3)4-6-17-7-5-15;/h8-9,17-18H,4-7,10H2,1-3H3;1H
InChIKeyPMBPZRYJEGLJMK-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.53
Rot. Bonds4

About 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride

4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720559) has the molecular formula C15H24ClFN2O2S and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720559
Molecular FormulaC15H24ClFN2O2S
Molecular Weight350.89 g/mol
Exact Mass350.12
IUPAC Name4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(C)CCNCC2)cc(C)c1F.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-11-8-13(9-12(2)14(11)16)21(19,20)18-10-15(3)4-6-17-7-5-15;/h8-9,17-18H,4-7,10H2,1-3H3;1H
InChIKeyPMBPZRYJEGLJMK-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720518
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
ethyl 3-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzoate
CID 120720148
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720121
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720559) is 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC2(C)CCNCC2)cc(C)c1F.Cl.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is PMBPZRYJEGLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S.ClH/c1-11-8-13(9-12(2)14(11)16)21(19,20)18-10-15(3)4-6-17-7-5-15;/h8-9,17-18H,4-7,10H2,1-3H3;1H.
What are the key properties of 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).