4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide

C17H16ClN3O2S2 — CID 58911132

IUPAC4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H16ClN3O2S2/c1-21(2)25(22,23)15-9-3-12(4-10-15)16-11-24-17(20-16)19-14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyFAPAIMVPWMPYIL-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.46
Rot. Bonds5

About 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide

4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 58911132) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID58911132
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC Name4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H16ClN3O2S2/c1-21(2)25(22,23)15-9-3-12(4-10-15)16-11-24-17(20-16)19-14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyFAPAIMVPWMPYIL-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 58910466
4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492854
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 58911132) is 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is FAPAIMVPWMPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-21(2)25(22,23)15-9-3-12(4-10-15)16-11-24-17(20-16)19-14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 393.92 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 58911132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).