4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide

C16H18ClNO3S — CID 26057393

IUPAC4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO3S/c1-13-3-7-15(8-4-13)21-12-11-18(2)22(19,20)16-9-5-14(17)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyKXTXUQKGKTXTOG-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.35
Rot. Bonds6

About 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide

4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 26057393) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID26057393
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO3S/c1-13-3-7-15(8-4-13)21-12-11-18(2)22(19,20)16-9-5-14(17)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyKXTXUQKGKTXTOG-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
CID 52580356
4-(2-aminoethoxy)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064529
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8797974
N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959564
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (CID 26057393) is 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is Cc1ccc(OCCN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is KXTXUQKGKTXTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-13-3-7-15(8-4-13)21-12-11-18(2)22(19,20)16-9-5-14(17)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 26057393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).