4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide

C15H21ClN2O3S — CID 134057878

IUPAC4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-3-17(2)15(19)12-7-8-13(16)14(11-12)22(20,21)18-9-5-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZDXIFAWJCDEVDV-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 134057878) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID134057878
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-3-17(2)15(19)12-7-8-13(16)14(11-12)22(20,21)18-9-5-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZDXIFAWJCDEVDV-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(2-methylpropyl)benzamide
CID 134058564
4-chloro-N-methyl-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 134058596
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9226980
4-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9475405
N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2359100
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55621643
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856093
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555557
4-chloro-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 33292387
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 47829927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 134057878) is 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide is CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZDXIFAWJCDEVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-3-17(2)15(19)12-7-8-13(16)14(11-12)22(20,21)18-9-5-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 344.86 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 134057878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).