N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide

C16H18ClNO4S — CID 113099468

IUPACN-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(Cl)c2)cc1C
InChIInChI=1S/C16H18ClNO4S/c1-12-10-15(6-7-16(12)21-2)23(19,20)18-8-9-22-14-5-3-4-13(17)11-14/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyYYSCMDWCZFEAIZ-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide

N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113099468) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113099468
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(Cl)c2)cc1C
InChIInChI=1S/C16H18ClNO4S/c1-12-10-15(6-7-16(12)21-2)23(19,20)18-8-9-22-14-5-3-4-13(17)11-14/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyYYSCMDWCZFEAIZ-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide (CID 113099468) is N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cccc(Cl)c2)cc1C.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is YYSCMDWCZFEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-12-10-15(6-7-16(12)21-2)23(19,20)18-8-9-22-14-5-3-4-13(17)11-14/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113099468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).