5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride

C15H20ClNO3S — CID 65371176

IUPAC5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
SMILESCCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C15H20ClNO3S/c1-3-12-6-8-17(9-7-12)15(18)13-5-4-11(2)14(10-13)21(16,19)20/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyANKDVJMCVWVXKQ-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.18
Rot. Bonds3

About 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride

5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride (PubChem CID 65371176) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
PubChem CID65371176
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
SMILESCCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C15H20ClNO3S/c1-3-12-6-8-17(9-7-12)15(18)13-5-4-11(2)14(10-13)21(16,19)20/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyANKDVJMCVWVXKQ-UHFFFAOYSA-N
XLogP3.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
CID 63213953
N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
CID 143783654
3-bromo-5-(4-ethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65370791
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride (CID 65371176) is 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride is CCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Cl)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is ANKDVJMCVWVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-3-12-6-8-17(9-7-12)15(18)13-5-4-11(2)14(10-13)21(16,19)20/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride?
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65371176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).