4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide

C15H16ClNO3S — CID 43342532

IUPAC4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-10-7-15(21(17,18)19)11(2)6-14(10)20-9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyGTZXLRBSMCLPLO-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.18
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide

4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide (PubChem CID 43342532) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
PubChem CID43342532
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-10-7-15(21(17,18)19)11(2)6-14(10)20-9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyGTZXLRBSMCLPLO-UHFFFAOYSA-N
XLogP3.18
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63036597
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
CID 155154126
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
4-but-2-ynoxy-2,5-dimethylbenzenesulfonamide
CID 82912944
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
4-[[4-[(3-chlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]morpholine
CID 3517731
4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride
CID 43134393

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide (CID 43342532) is 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C)cc1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide?
The InChIKey is GTZXLRBSMCLPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-7-15(21(17,18)19)11(2)6-14(10)20-9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide?
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43342532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).