N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide

C17H20ClNO3S — CID 134844608

IUPACN-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
SMILESCCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-22-17(14-6-8-15(18)9-7-14)12-19-23(20,21)16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyHYDWXEIMZXSWRB-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide (PubChem CID 134844608) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
PubChem CID134844608
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC NameN-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
SMILESCCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-22-17(14-6-8-15(18)9-7-14)12-19-23(20,21)16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyHYDWXEIMZXSWRB-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide (CID 134844608) is N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide is CCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is HYDWXEIMZXSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-3-22-17(14-6-8-15(18)9-7-14)12-19-23(20,21)16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134844608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).