N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide

C16H16F2N4O2S2 — CID 90571032

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(F)cc3F)cs2)n1
InChIInChI=1S/C16H16F2N4O2S2/c1-10-7-11(2)22(21-10)16-20-13(9-25-16)5-6-19-26(23,24)15-4-3-12(17)8-14(15)18/h3-4,7-9,19H,5-6H2,1-2H3
InChIKeyPCGCPQFMPXLTSR-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide (PubChem CID 90571032) has the molecular formula C16H16F2N4O2S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide
PubChem CID90571032
Molecular FormulaC16H16F2N4O2S2
Molecular Weight398.46 g/mol
Exact Mass398.07
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(F)cc3F)cs2)n1
InChIInChI=1S/C16H16F2N4O2S2/c1-10-7-11(2)22(21-10)16-20-13(9-25-16)5-6-19-26(23,24)15-4-3-12(17)8-14(15)18/h3-4,7-9,19H,5-6H2,1-2H3
InChIKeyPCGCPQFMPXLTSR-UHFFFAOYSA-N
XLogP2.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
CID 90571042
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanesulfonamide
CID 90571049
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
CID 63810056
methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
CID 75390881
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122290294
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 90570879
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
4-(aminomethyl)-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79179862
1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 71802122

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide (CID 90571032) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide is Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(F)cc3F)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is PCGCPQFMPXLTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2S2/c1-10-7-11(2)22(21-10)16-20-13(9-25-16)5-6-19-26(23,24)15-4-3-12(17)8-14(15)18/h3-4,7-9,19H,5-6H2,1-2H3.
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 398.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 90571032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).