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

C20H17Cl2NO3S — CID 25098363

IUPAC4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cccc(CO)c1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO3S/c1-23(17-4-2-3-14(11-17)13-24)27(25,26)18-8-5-15(6-9-18)19-10-7-16(21)12-20(19)22/h2-12,24H,13H2,1H3
InChIKeyMSGAVAUZVUOGPT-UHFFFAOYSA-N
MW422.33 g/mol
LogP4.98
Rot. Bonds5

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

4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 25098363) has the molecular formula C20H17Cl2NO3S and a molecular weight of 422.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID25098363
Molecular FormulaC20H17Cl2NO3S
Molecular Weight422.33 g/mol
Exact Mass421.03
IUPAC Name4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cccc(CO)c1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO3S/c1-23(17-4-2-3-14(11-17)13-24)27(25,26)18-8-5-15(6-9-18)19-10-7-16(21)12-20(19)22/h2-12,24H,13H2,1H3
InChIKeyMSGAVAUZVUOGPT-UHFFFAOYSA-N
XLogP4.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2',4'-dichloro-N-(3-(hydroxymethyl)phenyl)biphenyl-4-sulfonamide
CID 25097269
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098085
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 22275595
N-[5-chloro-2-(hydroxymethyl)phenyl]-N-(2-chloroprop-2-enyl)-4-methylbenzenesulfonamide
CID 44432735
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-propylbenzenesulfonamide
CID 44432737
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 44432739
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 44432740
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 44432742
N-[5-chloro-2-(hydroxymethyl)phenyl]-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 44432743
N-[5-chloro-2-(hydroxymethyl)phenyl]-N-(1-cyclohexylethyl)-4-methylbenzenesulfonamide
CID 44432745
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 44432746
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 44432748

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide (CID 25098363) is 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide is CN(c1cccc(CO)c1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is MSGAVAUZVUOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3S/c1-23(17-4-2-3-14(11-17)13-24)27(25,26)18-8-5-15(6-9-18)19-10-7-16(21)12-20(19)22/h2-12,24H,13H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 422.33 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 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]-N-methylbenzenesulfonamide is sourced from PubChem (CID 25098363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).