3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

C14H17ClFNO3S — CID 65368363

IUPAC3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCc1c(F)cc(C(=O)N2CCCCC2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H17ClFNO3S/c1-9-5-3-4-6-17(9)14(18)11-7-12(16)10(2)13(8-11)21(15,19)20/h7-9H,3-6H2,1-2H3
InChIKeyJAYVGKMQGOHDAZ-UHFFFAOYSA-N
MW333.81 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65368363) has the molecular formula C14H17ClFNO3S and a molecular weight of 333.81 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65368363
Molecular FormulaC14H17ClFNO3S
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCc1c(F)cc(C(=O)N2CCCCC2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H17ClFNO3S/c1-9-5-3-4-6-17(9)14(18)11-7-12(16)10(2)13(8-11)21(15,19)20/h7-9H,3-6H2,1-2H3
InChIKeyJAYVGKMQGOHDAZ-UHFFFAOYSA-N
XLogP3.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 60861512
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072
[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 63187265
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073
3-chlorosulfonyl-5-fluoro-4-methylbenzoic acid
CID 16775741
(2-chloro-5,6-difluoro-3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 876122
2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65370004
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65368363) is 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is Cc1c(F)cc(C(=O)N2CCCCC2C)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is JAYVGKMQGOHDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3S/c1-9-5-3-4-6-17(9)14(18)11-7-12(16)10(2)13(8-11)21(15,19)20/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 333.81 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).