2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene

C12H5Cl4NO2S — CID 70143774

IUPAC2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2S/c13-6-1-3-9(7(14)5-6)20-10-4-2-8(17(18)19)11(15)12(10)16/h1-5H
InChIKeyQBIDLHWNMNONDY-UHFFFAOYSA-N
MW369.06 g/mol
LogP6.36
Rot. Bonds3

About 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene

2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene (PubChem CID 70143774) has the molecular formula C12H5Cl4NO2S and a molecular weight of 369.06 g/mol. Its IUPAC name is 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene.

Molecular Properties

Compound Name2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene
PubChem CID70143774
Molecular FormulaC12H5Cl4NO2S
Molecular Weight369.06 g/mol
Exact Mass366.88
IUPAC Name2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2S/c13-6-1-3-9(7(14)5-6)20-10-4-2-8(17(18)19)11(15)12(10)16/h1-5H
InChIKeyQBIDLHWNMNONDY-UHFFFAOYSA-N
XLogP6.36
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.06
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-(4-nitrophenyl)sulfanylbenzene
CID 91876619
2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline
CID 54505726
CID 58762875
CID 58762875
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
5-(2,5-dichlorophenyl)sulfanyl-2-nitroaniline
CID 106752170
6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
CID 43260475
N-bromo-5-chloro-2-nitroaniline
CID 150892624
1-chloro-5-(5-chloro-2-fluoro-4-nitrophenyl)sulfanyl-4-fluoro-2-nitrobenzene
CID 175114073
4-chloro-1-(4-iodophenyl)sulfanyl-2-nitrobenzene
CID 91876729
3-chloro-4-(2-nitrophenyl)sulfanylbenzoic acid
CID 63089661
(E)-3-[4-(2,4-dichlorophenyl)sulfanyl-3-nitrophenyl]-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 10324240
2-(5-chloro-2-nitrophenyl)sulfanyl-1,3,5-trimethylbenzene
CID 71389298

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene?
The IUPAC name of 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene (CID 70143774) is 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene.
What is the SMILES notation for 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene?
The canonical SMILES for 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene is O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene?
The InChIKey is QBIDLHWNMNONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO2S/c13-6-1-3-9(7(14)5-6)20-10-4-2-8(17(18)19)11(15)12(10)16/h1-5H.
What are the key properties of 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene?
2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene has a molecular weight of 369.06 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene is sourced from PubChem (CID 70143774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).