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

C20H17Cl2NO3S — CID 25094423

IUPAC4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO3S/c21-16-6-9-19(20(22)13-16)15-4-7-18(8-5-15)27(25,26)23-17-3-1-2-14(12-17)10-11-24/h1-9,12-13,23-24H,10-11H2
InChIKeyNMZXRSUKNBTHPJ-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.00
Rot. Bonds6

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

4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 25094423) has the molecular formula C20H17Cl2NO3S and a molecular weight of 422.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID25094423
Molecular FormulaC20H17Cl2NO3S
Molecular Weight422.33 g/mol
Exact Mass421.03
IUPAC Name4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO3S/c21-16-6-9-19(20(22)13-16)15-4-7-18(8-5-15)27(25,26)23-17-3-1-2-14(12-17)10-11-24/h1-9,12-13,23-24H,10-11H2
InChIKeyNMZXRSUKNBTHPJ-UHFFFAOYSA-N
XLogP5.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
CID 45138636
N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
CID 155927046
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 70911541
4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 59571909
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
CID 145477038
2-[2-[3-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688369
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
4-(4-bromophenyl)-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide;4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide;4-(4-bromophenyl)-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide;4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;4-(4-bromophenyl)-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide;4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;4-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;4-(2,4-difluorophenyl)-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide;4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 158322635
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 25094423) is 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is NMZXRSUKNBTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3S/c21-16-6-9-19(20(22)13-16)15-4-7-18(8-5-15)27(25,26)23-17-3-1-2-14(12-17)10-11-24/h1-9,12-13,23-24H,10-11H2.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 422.33 g/mol, XLogP of 5.00, 6 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-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25094423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).