3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide

C14H14ClNO3S — CID 61373703

IUPAC3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
SMILESCc1cc(C)cc(Oc2ccc(S(N)(=O)=O)cc2Cl)c1
InChIInChI=1S/C14H14ClNO3S/c1-9-5-10(2)7-11(6-9)19-14-4-3-12(8-13(14)15)20(16,17)18/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyBWNFORCSUHMHFV-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.40
Rot. Bonds3

About 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide

3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide (PubChem CID 61373703) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
PubChem CID61373703
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
SMILESCc1cc(C)cc(Oc2ccc(S(N)(=O)=O)cc2Cl)c1
InChIInChI=1S/C14H14ClNO3S/c1-9-5-10(2)7-11(6-9)19-14-4-3-12(8-13(14)15)20(16,17)18/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyBWNFORCSUHMHFV-UHFFFAOYSA-N
XLogP3.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 143402513
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide (CID 61373703) is 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide is Cc1cc(C)cc(Oc2ccc(S(N)(=O)=O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide?
The InChIKey is BWNFORCSUHMHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-9-5-10(2)7-11(6-9)19-14-4-3-12(8-13(14)15)20(16,17)18/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide?
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide is sourced from PubChem (CID 61373703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).