2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide

C14H13ClFNO3S — CID 115983170

IUPAC2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2cccc(F)c2Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13ClFNO3S/c1-9-5-6-12(13(7-9)21(17,18)19)20-8-10-3-2-4-11(16)14(10)15/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyYQJOORBKAYTSKW-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide

2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide (PubChem CID 115983170) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide
PubChem CID115983170
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2cccc(F)c2Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13ClFNO3S/c1-9-5-6-12(13(7-9)21(17,18)19)20-8-10-3-2-4-11(16)14(10)15/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyYQJOORBKAYTSKW-UHFFFAOYSA-N
XLogP3.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 43342438
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide
CID 114346410
(NZ)-N-[1-[2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 115982997
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide (CID 115983170) is 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide is Cc1ccc(OCc2cccc(F)c2Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide?
The InChIKey is YQJOORBKAYTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-9-5-6-12(13(7-9)21(17,18)19)20-8-10-3-2-4-11(16)14(10)15/h2-7H,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide?
2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide is sourced from PubChem (CID 115983170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).