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

C14H21FN2O2S — CID 120720518

IUPAC2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2(C)CCNCC2)c1F
InChIInChI=1S/C14H21FN2O2S/c1-11-4-3-5-12(13(11)15)20(18,19)17-10-14(2)6-8-16-9-7-14/h3-5,16-17H,6-10H2,1-2H3
InChIKeyUZFFNOHEMKUMOV-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.80
Rot. Bonds4

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

2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 120720518) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID120720518
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2(C)CCNCC2)c1F
InChIInChI=1S/C14H21FN2O2S/c1-11-4-3-5-12(13(11)15)20(18,19)17-10-14(2)6-8-16-9-7-14/h3-5,16-17H,6-10H2,1-2H3
InChIKeyUZFFNOHEMKUMOV-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720177
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-bromo-5-chloro-2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720356
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 120720518) is 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2(C)CCNCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is UZFFNOHEMKUMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-4-3-5-12(13(11)15)20(18,19)17-10-14(2)6-8-16-9-7-14/h3-5,16-17H,6-10H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide?
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 120720518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).