2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride

C17H18ClN3O2S2 — CID 20527375

IUPAC2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(-c2cs/c(=N\c3ccccc3)n2C)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C17H17N3O2S2.ClH/c1-12-8-9-13(10-16(12)24(18,21)22)15-11-23-17(20(15)2)19-14-6-4-3-5-7-14;/h3-11H,1-2H3,(H2,18,21,22);1H/b19-17-;
InChIKeyJGHOTPJQIALNDH-HGMLFDQWSA-N
MW395.94 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride

2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 20527375) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
PubChem CID20527375
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC Name2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(-c2cs/c(=N\c3ccccc3)n2C)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C17H17N3O2S2.ClH/c1-12-8-9-13(10-16(12)24(18,21)22)15-11-23-17(20(15)2)19-14-6-4-3-5-7-14;/h3-11H,1-2H3,(H2,18,21,22);1H/b19-17-;
InChIKeyJGHOTPJQIALNDH-HGMLFDQWSA-N
XLogP3.36
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.36
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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Related Compounds

2-chloro-5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide;hydrochloride
CID 20527298
2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 20527217
2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 20527108
2-chloro-5-[3-methyl-2-(3,4,5-trimethoxyphenyl)imino-1,3-thiazol-4-yl]benzenesulfonamide
CID 20527337
3-methyl-N-[4-[4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]phenyl]sulfonylphenyl]-4-phenyl-1,3-thiazol-2-imine
CID 122373825
N-butyl-2-chloro-N-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
CID 20527297
5-[2-(2-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N,2-trimethylbenzenesulfonamide
CID 20527243
4-[4-chloro-3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-N-phenyl-1,3-thiazol-2-imine
CID 20527310
2-chloro-5-[2-(2-methoxy-4,5-dimethylphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 20527291
(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733604
2-chloro-5-[3-methyl-2-(2-methylphenyl)imino-1,3-thiazol-4-yl]benzenesulfonyl chloride;hydrobromide
CID 20527177
2-chloro-5-[2-(4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride (CID 20527375) is 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride is Cc1ccc(-c2cs/c(=N\c3ccccc3)n2C)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is JGHOTPJQIALNDH-HGMLFDQWSA-N. The full InChI is InChI=1S/C17H17N3O2S2.ClH/c1-12-8-9-13(10-16(12)24(18,21)22)15-11-23-17(20(15)2)19-14-6-4-3-5-7-14;/h3-11H,1-2H3,(H2,18,21,22);1H/b19-17-;.
What are the key properties of 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride?
2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 395.94 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 20527375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).