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

C16H17FN4O2S2 — CID 90571042

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)c3cccc(F)c3)cs2)n1
InChIInChI=1S/C16H17FN4O2S2/c1-11-8-12(2)21(20-11)16-19-14(10-24-16)6-7-18-25(22,23)15-5-3-4-13(17)9-15/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyCUXTXYZCDFRCAO-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.61
Rot. Bonds6

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

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide (PubChem CID 90571042) has the molecular formula C16H17FN4O2S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
PubChem CID90571042
Molecular FormulaC16H17FN4O2S2
Molecular Weight380.47 g/mol
Exact Mass380.08
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)c3cccc(F)c3)cs2)n1
InChIInChI=1S/C16H17FN4O2S2/c1-11-8-12(2)21(20-11)16-19-14(10-24-16)6-7-18-25(22,23)15-5-3-4-13(17)9-15/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyCUXTXYZCDFRCAO-UHFFFAOYSA-N
XLogP2.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.61
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]-2,4-difluorobenzenesulfonamide
CID 90571032
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
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]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
CID 63810056
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide
CID 7640542
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
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]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide (CID 90571042) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide is Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3cccc(F)c3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is CUXTXYZCDFRCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S2/c1-11-8-12(2)21(20-11)16-19-14(10-24-16)6-7-18-25(22,23)15-5-3-4-13(17)9-15/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 2.61, 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]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 90571042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).