1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine

C13H18FNO2S — CID 145499915

IUPAC1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H18FNO2S/c1-10-5-7-15(8-6-10)18(16,17)13-9-12(14)4-3-11(13)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyDWCWTICUZFYDEF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.55
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine

1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine (PubChem CID 145499915) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
PubChem CID145499915
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H18FNO2S/c1-10-5-7-15(8-6-10)18(16,17)13-9-12(14)4-3-11(13)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyDWCWTICUZFYDEF-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 131919037
1-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977686
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine
CID 71907976

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine (CID 145499915) is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine is Cc1ccc(F)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is DWCWTICUZFYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10-5-7-15(8-6-10)18(16,17)13-9-12(14)4-3-11(13)2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine?
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 271.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 145499915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).