3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride

C14H17ClFNO3S — CID 65370983

IUPAC3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
SMILESCCC1CCN(C(=O)c2cc(S(=O)(=O)Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO3S/c1-2-10-5-7-17(8-6-10)14(18)12-9-11(21(15,19)20)3-4-13(12)16/h3-4,9-10H,2,5-8H2,1H3
InChIKeyRRGCAORLHQIHGF-UHFFFAOYSA-N
MW333.81 g/mol
LogP3.02
Rot. Bonds3

About 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride

3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65370983) has the molecular formula C14H17ClFNO3S and a molecular weight of 333.81 g/mol. Its IUPAC name is 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65370983
Molecular FormulaC14H17ClFNO3S
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
SMILESCCC1CCN(C(=O)c2cc(S(=O)(=O)Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO3S/c1-2-10-5-7-17(8-6-10)14(18)12-9-11(21(15,19)20)3-4-13(12)16/h3-4,9-10H,2,5-8H2,1H3
InChIKeyRRGCAORLHQIHGF-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367295
3-bromo-5-(4-ethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65370791
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
CID 61053031
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 81454088
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65371176
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride (CID 65370983) is 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride is CCC1CCN(C(=O)c2cc(S(=O)(=O)Cl)ccc2F)CC1.
What is the InChIKey of 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is RRGCAORLHQIHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3S/c1-2-10-5-7-17(8-6-10)14(18)12-9-11(21(15,19)20)3-4-13(12)16/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride?
3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 333.81 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65370983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).