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

C15H8Cl2F2N2O2S2 — CID 2321668

IUPAC5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2ccc(F)cc2F)sc1Cl
InChIInChI=1S/C15H8Cl2F2N2O2S2/c16-8-1-4-10(5-2-8)25(22,23)14-13(17)24-15(21-14)20-12-6-3-9(18)7-11(12)19/h1-7H,(H,20,21)
InChIKeyTXUSTJIPEGTSLS-UHFFFAOYSA-N
MW421.28 g/mol
LogP5.30
Rot. Bonds4

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

5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 2321668) has the molecular formula C15H8Cl2F2N2O2S2 and a molecular weight of 421.28 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID2321668
Molecular FormulaC15H8Cl2F2N2O2S2
Molecular Weight421.28 g/mol
Exact Mass419.94
IUPAC Name5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2ccc(F)cc2F)sc1Cl
InChIInChI=1S/C15H8Cl2F2N2O2S2/c16-8-1-4-10(5-2-8)25(22,23)14-13(17)24-15(21-14)20-12-6-3-9(18)7-11(12)19/h1-7H,(H,20,21)
InChIKeyTXUSTJIPEGTSLS-UHFFFAOYSA-N
XLogP5.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.28
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-methylphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2358924
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 53124627
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
2-(2,4-difluoroanilino)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxylic acid
CID 10150789
N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 3620321
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine
CID 20888722
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine (CID 2321668) is 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2ccc(F)cc2F)sc1Cl.
What is the InChIKey of 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is TXUSTJIPEGTSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2O2S2/c16-8-1-4-10(5-2-8)25(22,23)14-13(17)24-15(21-14)20-12-6-3-9(18)7-11(12)19/h1-7H,(H,20,21).
What are the key properties of 5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 421.28 g/mol, XLogP of 5.30, 4 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-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2321668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).