4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide

C17H20ClNO3S — CID 113100064

IUPAC4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H20ClNO3S/c1-3-14-5-4-6-15(12-14)22-10-9-19-23(20,21)16-7-8-17(18)13(2)11-16/h4-8,11-12,19H,3,9-10H2,1-2H3
InChIKeyYQYSPXJGOZHRRY-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.57
Rot. Bonds7

About 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide

4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide (PubChem CID 113100064) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
PubChem CID113100064
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H20ClNO3S/c1-3-14-5-4-6-15(12-14)22-10-9-19-23(20,21)16-7-8-17(18)13(2)11-16/h4-8,11-12,19H,3,9-10H2,1-2H3
InChIKeyYQYSPXJGOZHRRY-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100044
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide (CID 113100064) is 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide is CCc1cccc(OCCNS(=O)(=O)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is YQYSPXJGOZHRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-3-14-5-4-6-15(12-14)22-10-9-19-23(20,21)16-7-8-17(18)13(2)11-16/h4-8,11-12,19H,3,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide?
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113100064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).