6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline

C14H21FN2O2S — CID 107325512

IUPAC6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-5-4-6-17(8-9)20(18,19)14-10(2)7-12(15)13(16)11(14)3/h7,9H,4-6,8,16H2,1-3H3
InChIKeyLNJMXXFVWDAUOP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.45
Rot. Bonds2

About 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline

6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 107325512) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID107325512
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-5-4-6-17(8-9)20(18,19)14-10(2)7-12(15)13(16)11(14)3/h7,9H,4-6,8,16H2,1-3H3
InChIKeyLNJMXXFVWDAUOP-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
6-fluoro-2,4-dimethyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313380
(3R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-3-methylpiperidine
CID 95156648
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868
[1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107326291
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline (CID 107325512) is 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline is Cc1cc(F)c(N)c(C)c1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is LNJMXXFVWDAUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-5-4-6-17(8-9)20(18,19)14-10(2)7-12(15)13(16)11(14)3/h7,9H,4-6,8,16H2,1-3H3.
What are the key properties of 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline?
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 300.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 107325512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).