2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride

C16H14Cl3N3O2S2 — CID 20527298

IUPAC2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)cs/c1=N\c1ccccc1Cl
InChIInChI=1S/C16H13Cl2N3O2S2.ClH/c1-21-14(10-6-7-12(18)15(8-10)25(19,22)23)9-24-16(21)20-13-5-3-2-4-11(13)17;/h2-9H,1H3,(H2,19,22,23);1H/b20-16-;
InChIKeyRYFXAWVTJNIYJC-LRZQPWDCSA-N
MW450.80 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride

2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 20527298) has the molecular formula C16H14Cl3N3O2S2 and a molecular weight of 450.80 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride
PubChem CID20527298
Molecular FormulaC16H14Cl3N3O2S2
Molecular Weight450.80 g/mol
Exact Mass448.96
IUPAC Name2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)cs/c1=N\c1ccccc1Cl
InChIInChI=1S/C16H13Cl2N3O2S2.ClH/c1-21-14(10-6-7-12(18)15(8-10)25(19,22)23)9-24-16(21)20-13-5-3-2-4-11(13)17;/h2-9H,1H3,(H2,19,22,23);1H/b20-16-;
InChIKeyRYFXAWVTJNIYJC-LRZQPWDCSA-N
XLogP4.36
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride (CID 20527298) is 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride is Cl.Cn1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)cs/c1=N\c1ccccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is RYFXAWVTJNIYJC-LRZQPWDCSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S2.ClH/c1-21-14(10-6-7-12(18)15(8-10)25(19,22)23)9-24-16(21)20-13-5-3-2-4-11(13)17;/h2-9H,1H3,(H2,19,22,23);1H/b20-16-;.
What are the key properties of 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride?
2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 450.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 20527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).