3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide

C13H10Cl3NO3S — CID 4985281

IUPAC3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10Cl3NO3S/c1-17(10-4-2-8(14)3-5-10)21(19,20)12-7-9(15)6-11(16)13(12)18/h2-7,18H,1H3
InChIKeyPBJDFTDAWYCYIW-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.18
Rot. Bonds3

About 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide

3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 4985281) has the molecular formula C13H10Cl3NO3S and a molecular weight of 366.65 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
PubChem CID4985281
Molecular FormulaC13H10Cl3NO3S
Molecular Weight366.65 g/mol
Exact Mass364.94
IUPAC Name3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10Cl3NO3S/c1-17(10-4-2-8(14)3-5-10)21(19,20)12-7-9(15)6-11(16)13(12)18/h2-7,18H,1H3
InChIKeyPBJDFTDAWYCYIW-UHFFFAOYSA-N
XLogP4.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498
3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3261239
N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide
CID 3875916
barium(2+);bis(3,5-dichloro-2-hydroxybenzenesulfonate)
CID 139842253
3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733368
phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2668465
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide
CID 54289316

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide (CID 4985281) is 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is PBJDFTDAWYCYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO3S/c1-17(10-4-2-8(14)3-5-10)21(19,20)12-7-9(15)6-11(16)13(12)18/h2-7,18H,1H3.
What are the key properties of 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide?
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 366.65 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 4985281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).