4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C13H17FN2O3S — CID 60876018

IUPAC4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)C1
InChIInChI=1S/C13H17FN2O3S/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)20(15,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,18,19)
InChIKeyLJECYTXUUBCAGJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.35
Rot. Bonds2

About 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 60876018) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID60876018
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)C1
InChIInChI=1S/C13H17FN2O3S/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)20(15,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,18,19)
InChIKeyLJECYTXUUBCAGJ-UHFFFAOYSA-N
XLogP1.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
2-bromo-5-fluoro-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 63933947
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 106316195
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 60876018) is 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)C1.
What is the InChIKey of 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is LJECYTXUUBCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)20(15,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,18,19).
What are the key properties of 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60876018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).