N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide

C17H20ClNO4S2 — CID 2818825

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H20ClNO4S2/c1-3-19(25(22,23)17-8-4-14(2)5-9-17)12-13-24(20,21)16-10-6-15(18)7-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyRMOZNDNYOFEJMO-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 2818825) has the molecular formula C17H20ClNO4S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide
PubChem CID2818825
Molecular FormulaC17H20ClNO4S2
Molecular Weight401.94 g/mol
Exact Mass401.05
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H20ClNO4S2/c1-3-19(25(22,23)17-8-4-14(2)5-9-17)12-13-24(20,21)16-10-6-15(18)7-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyRMOZNDNYOFEJMO-UHFFFAOYSA-N
XLogP3.13
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide (CID 2818825) is N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide is CCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is RMOZNDNYOFEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S2/c1-3-19(25(22,23)17-8-4-14(2)5-9-17)12-13-24(20,21)16-10-6-15(18)7-11-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 401.94 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 2818825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).