5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline

C14H21FN2O3S — CID 114624899

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
SMILESCOc1c(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-9-4-10(2)8-17(7-9)21(18,19)11-5-12(15)14(20-3)13(16)6-11/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyUZJNXFMCSUVLSY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.08
Rot. Bonds3

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline (PubChem CID 114624899) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
PubChem CID114624899
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
SMILESCOc1c(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-9-4-10(2)8-17(7-9)21(18,19)11-5-12(15)14(20-3)13(16)6-11/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyUZJNXFMCSUVLSY-UHFFFAOYSA-N
XLogP2.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline
CID 114624782
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114625577
1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212534
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
CID 43100497
[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625967
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
CID 43256117
5-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105614
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
CID 95739230

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline (CID 114624899) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline is COc1c(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)cc1F.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline?
The InChIKey is UZJNXFMCSUVLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-9-4-10(2)8-17(7-9)21(18,19)11-5-12(15)14(20-3)13(16)6-11/h5-6,9-10H,4,7-8,16H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline has a molecular weight of 316.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline is sourced from PubChem (CID 114624899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).