3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C15H21ClN2O4S — CID 1259940

IUPAC3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-17(11-15(19)18-8-4-3-5-9-18)23(20,21)12-6-7-14(22-2)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyUIVFWSQQMPRQQV-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.98
Rot. Bonds5

About 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 1259940) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID1259940
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-17(11-15(19)18-8-4-3-5-9-18)23(20,21)12-6-7-14(22-2)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyUIVFWSQQMPRQQV-UHFFFAOYSA-N
XLogP1.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 1259940) is 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is UIVFWSQQMPRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-17(11-15(19)18-8-4-3-5-9-18)23(20,21)12-6-7-14(22-2)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1259940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).