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

C14H14ClNO3S — CID 43175694

IUPAC4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(N)(=O)=O)cc2)cc(C)c1Cl
InChIInChI=1S/C14H14ClNO3S/c1-9-7-12(8-10(2)14(9)15)19-11-3-5-13(6-4-11)20(16,17)18/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyWQBQXHQNZAGQRK-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.40
Rot. Bonds3

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

4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide (PubChem CID 43175694) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
PubChem CID43175694
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(N)(=O)=O)cc2)cc(C)c1Cl
InChIInChI=1S/C14H14ClNO3S/c1-9-7-12(8-10(2)14(9)15)19-11-3-5-13(6-4-11)20(16,17)18/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyWQBQXHQNZAGQRK-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

4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
CID 43436519
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
3-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
CID 22683399
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide (CID 43175694) is 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide is Cc1cc(Oc2ccc(S(N)(=O)=O)cc2)cc(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide?
The InChIKey is WQBQXHQNZAGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-9-7-12(8-10(2)14(9)15)19-11-3-5-13(6-4-11)20(16,17)18/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide?
4-(4-chloro-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 4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide is sourced from PubChem (CID 43175694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).