4-(2-chloro-5-methylphenoxy)benzenesulfonamide

C13H12ClNO3S — CID 43173861

IUPAC4-(2-chloro-5-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Cl)c(Oc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C13H12ClNO3S/c1-9-2-7-12(14)13(8-9)18-10-3-5-11(6-4-10)19(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyJMGHJWVQQXOUHT-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.09
Rot. Bonds3

About 4-(2-chloro-5-methylphenoxy)benzenesulfonamide

4-(2-chloro-5-methylphenoxy)benzenesulfonamide (PubChem CID 43173861) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-(2-chloro-5-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloro-5-methylphenoxy)benzenesulfonamide
PubChem CID43173861
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-(2-chloro-5-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Cl)c(Oc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C13H12ClNO3S/c1-9-2-7-12(14)13(8-9)18-10-3-5-11(6-4-10)19(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyJMGHJWVQQXOUHT-UHFFFAOYSA-N
XLogP3.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-5-methylphenoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
CID 61395743
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
methane;4-methylbenzenesulfonamide
CID 66673954
2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide
CID 4851626
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
5-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 104536545
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylphenoxy)benzenesulfonamide?
The IUPAC name of 4-(2-chloro-5-methylphenoxy)benzenesulfonamide (CID 43173861) is 4-(2-chloro-5-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloro-5-methylphenoxy)benzenesulfonamide?
The canonical SMILES for 4-(2-chloro-5-methylphenoxy)benzenesulfonamide is Cc1ccc(Cl)c(Oc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-(2-chloro-5-methylphenoxy)benzenesulfonamide?
The InChIKey is JMGHJWVQQXOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-9-2-7-12(14)13(8-9)18-10-3-5-11(6-4-10)19(15,16)17/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-(2-chloro-5-methylphenoxy)benzenesulfonamide?
4-(2-chloro-5-methylphenoxy)benzenesulfonamide has a molecular weight of 297.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 43173861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).