4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

C19H15Cl2NO3S — CID 25097269

IUPAC4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H15Cl2NO3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23/h1-11,22-23H,12H2
InChIKeyIDALEPDEBIYNFL-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.95
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 25097269) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID25097269
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC Name4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H15Cl2NO3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23/h1-11,22-23H,12H2
InChIKeyIDALEPDEBIYNFL-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 25097269) is 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is IDALEPDEBIYNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23/h1-11,22-23H,12H2.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 408.31 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25097269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).