3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide

C12H8Cl3NO2S — CID 26952629

IUPAC3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C12H8Cl3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-5-4-9(14)7-11(12)15/h1-7,16H
InChIKeyATUFFUWYWZQQRO-UHFFFAOYSA-N
MW336.63 g/mol
LogP4.45
Rot. Bonds3

About 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide

3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide (PubChem CID 26952629) has the molecular formula C12H8Cl3NO2S and a molecular weight of 336.63 g/mol. Its IUPAC name is 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
PubChem CID26952629
Molecular FormulaC12H8Cl3NO2S
Molecular Weight336.63 g/mol
Exact Mass334.93
IUPAC Name3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C12H8Cl3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-5-4-9(14)7-11(12)15/h1-7,16H
InChIKeyATUFFUWYWZQQRO-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chlorobenzenesulfonohydrazide
CID 12924057
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-(2,4-dichlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996892
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10183345
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide (CID 26952629) is 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is ATUFFUWYWZQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-5-4-9(14)7-11(12)15/h1-7,16H.
What are the key properties of 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 336.63 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 26952629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).