2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

C13H17FN2O3S — CID 65373779

IUPAC2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCCC2)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H17FN2O3S/c1-9-7-10(8-11(12(9)14)20(15,18)19)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H2,15,18,19)
InChIKeyKKQWTCDTWFZLMI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.41
Rot. Bonds2

About 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 65373779) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID65373779
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCCC2)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H17FN2O3S/c1-9-7-10(8-11(12(9)14)20(15,18)19)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H2,15,18,19)
InChIKeyKKQWTCDTWFZLMI-UHFFFAOYSA-N
XLogP1.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65374549
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368020
3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
CID 62090446
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65374785

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 65373779) is 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is Cc1cc(C(=O)N2CCCCC2)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is KKQWTCDTWFZLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-9-7-10(8-11(12(9)14)20(15,18)19)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H2,15,18,19).
What are the key properties of 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 300.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65373779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).