2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide

C14H13Cl2NO3S — CID 43342438

IUPAC2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2ccc(Cl)cc2Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13Cl2NO3S/c1-9-2-5-13(14(6-9)21(17,18)19)20-8-10-3-4-11(15)7-12(10)16/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyYYQIJAKQAUFNEJ-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.53
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide

2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide (PubChem CID 43342438) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
PubChem CID43342438
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2ccc(Cl)cc2Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13Cl2NO3S/c1-9-2-5-13(14(6-9)21(17,18)19)20-8-10-3-4-11(15)7-12(10)16/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyYYQIJAKQAUFNEJ-UHFFFAOYSA-N
XLogP3.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 115983170
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide
CID 114346410
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82909777
5-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921724
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide (CID 43342438) is 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide is Cc1ccc(OCc2ccc(Cl)cc2Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide?
The InChIKey is YYQIJAKQAUFNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-9-2-5-13(14(6-9)21(17,18)19)20-8-10-3-4-11(15)7-12(10)16/h2-7H,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide?
2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide is sourced from PubChem (CID 43342438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).