N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide

C19H15Cl2NO3S — CID 169370059

IUPACN-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2NO3S/c1-13-2-9-17(10-3-13)26(23,24)22-18-12-15(21)6-11-19(18)25-16-7-4-14(20)5-8-16/h2-12,22H,1H3
InChIKeyZQNPXQVJTVERJP-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.89
Rot. Bonds5

About N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide

N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370059) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370059
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC NameN-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2NO3S/c1-13-2-9-17(10-3-13)26(23,24)22-18-12-15(21)6-11-19(18)25-16-7-4-14(20)5-8-16/h2-12,22H,1H3
InChIKeyZQNPXQVJTVERJP-UHFFFAOYSA-N
XLogP5.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide 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

2-chloro-5-(4-chlorophenoxy)-4-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 169372336
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 21372759
N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 9172981
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
4-chloro-N-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2797539
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide (CID 169370059) is N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZQNPXQVJTVERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c1-13-2-9-17(10-3-13)26(23,24)22-18-12-15(21)6-11-19(18)25-16-7-4-14(20)5-8-16/h2-12,22H,1H3.
What are the key properties of N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide?
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 408.31 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).