4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide

C13H10Cl3NOS — CID 143400032

IUPAC4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide
SMILESO=S(Nc1cc(Cl)ccc1CCl)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl3NOS/c14-8-9-1-2-11(16)7-13(9)17-19(18)12-5-3-10(15)4-6-12/h1-7,17H,8H2
InChIKeyWCZUBRJMTBIMAO-UHFFFAOYSA-N
MW334.66 g/mol
LogP4.87
Rot. Bonds4

About 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide

4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide (PubChem CID 143400032) has the molecular formula C13H10Cl3NOS and a molecular weight of 334.66 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide
PubChem CID143400032
Molecular FormulaC13H10Cl3NOS
Molecular Weight334.66 g/mol
Exact Mass332.95
IUPAC Name4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide
SMILESO=S(Nc1cc(Cl)ccc1CCl)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl3NOS/c14-8-9-1-2-11(16)7-13(9)17-19(18)12-5-3-10(15)4-6-12/h1-7,17H,8H2
InChIKeyWCZUBRJMTBIMAO-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-methylbenzenesulfinamide
CID 143373382
N-(4-chlorophenyl)-4-methylbenzenesulfinamide
CID 581510
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
[4-chloro-2-(chloromethyl)phenyl]hydrazine
CID 130951605
N-(4-acetylphenyl)-4-chlorobenzenesulfinamide
CID 577763
2-[5-chloro-2-(chloromethyl)phenyl]acetamide
CID 90923910
4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene
CID 18443836
4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide
CID 143780525
4-chloro-2-deuterio-N-phenylbenzenesulfinamide
CID 12568382
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
N-(2-bromo-5-chlorophenyl)methanesulfinamide
CID 130762687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide (CID 143400032) is 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide is O=S(Nc1cc(Cl)ccc1CCl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide?
The InChIKey is WCZUBRJMTBIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NOS/c14-8-9-1-2-11(16)7-13(9)17-19(18)12-5-3-10(15)4-6-12/h1-7,17H,8H2.
What are the key properties of 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide?
4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide has a molecular weight of 334.66 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(chloromethyl)phenyl]benzenesulfinamide is sourced from PubChem (CID 143400032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).