2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride

C13H15ClFNO4S — CID 102970898

IUPAC2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCOC1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C13H15ClFNO4S/c1-20-10-3-2-6-16(8-10)13(17)9-4-5-11(15)12(7-9)21(14,18)19/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyYIJWMWMYDCLAIM-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.00
Rot. Bonds3

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

2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 102970898) has the molecular formula C13H15ClFNO4S and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID102970898
Molecular FormulaC13H15ClFNO4S
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCOC1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C13H15ClFNO4S/c1-20-10-3-2-6-16(8-10)13(17)9-4-5-11(15)12(7-9)21(14,18)19/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyYIJWMWMYDCLAIM-UHFFFAOYSA-N
XLogP2.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonyl chloride
CID 103540871
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540919
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368020
(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride (CID 102970898) is 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride is COC1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cl)c2)C1.
What is the InChIKey of 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is YIJWMWMYDCLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S/c1-20-10-3-2-6-16(8-10)13(17)9-4-5-11(15)12(7-9)21(14,18)19/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride?
2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 335.78 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 102970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).