5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine

C9H6Cl2N2O2S2 — CID 18775386

IUPAC5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1
InChIInChI=1S/C9H6Cl2N2O2S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(11)16-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyDVKTWLHWYHAPGL-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.86
Rot. Bonds2

About 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine

5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 18775386) has the molecular formula C9H6Cl2N2O2S2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID18775386
Molecular FormulaC9H6Cl2N2O2S2
Molecular Weight309.20 g/mol
Exact Mass307.92
IUPAC Name5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1
InChIInChI=1S/C9H6Cl2N2O2S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(11)16-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyDVKTWLHWYHAPGL-UHFFFAOYSA-N
XLogP2.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
5-Chloro-4-(phenylsulfonyl)-1,3-thiazol-2-amine
CID 676564
4-{[(4-Chlorophenyl)sulfonyl]methyl}-1,3-thiazol-2-amine
CID 750249
2-Thiazolamine, 5-chloro-4-[(4-methylphenyl)sulfonyl]-
CID 763783
4-chloro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1540805
5-Chloro-4-((4-chlorophenyl)sulfonyl)-2-(phenylsulfonyl)thiazole
CID 16336024
5-Chloro-4-(4-chlorobenzenesulfonyl)-2-(methylsulfanyl)-1,3-thiazole
CID 35399957
5-(4-Chlorophenyl)sulfonyl-1,3-thiazol-2-amine
CID 87904343
4-chloro-N-(4-ethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 173093822
4-Amino-5-(4-chlorophenylsulfonyl)-2-(propylthio)thiazole
CID 2761273
5-((4-Chlorophenyl)sulfonyl)-2-(methylthio)thiazol-4-amine
CID 2761283
4-(benzenesulfonyl)-5-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 3948010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine (CID 18775386) is 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine is Nc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1.
What is the InChIKey of 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is DVKTWLHWYHAPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(11)16-9(12)13-8/h1-4H,(H2,12,13).
What are the key properties of 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine?
5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 309.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18775386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).