N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H17FN4O2S2 — CID 110421238

IUPACN-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN4O2S2/c1-10-16(11(2)21-20-10)25(22,23)19-9-15-18-8-14(24-15)7-12-3-5-13(17)6-4-12/h3-6,8,19H,7,9H2,1-2H3,(H,20,21)
InChIKeyYJISZJBWMWJTOI-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.69
Rot. Bonds6

About N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110421238) has the molecular formula C16H17FN4O2S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110421238
Molecular FormulaC16H17FN4O2S2
Molecular Weight380.47 g/mol
Exact Mass380.08
IUPAC NameN-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN4O2S2/c1-10-16(11(2)21-20-10)25(22,23)19-9-15-18-8-14(24-15)7-12-3-5-13(17)6-4-12/h3-6,8,19H,7,9H2,1-2H3,(H,20,21)
InChIKeyYJISZJBWMWJTOI-UHFFFAOYSA-N
XLogP2.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110421228
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
N-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62533973
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110873586
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61300828
3,5-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 110405080
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110362945
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110645429

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110421238) is N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YJISZJBWMWJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S2/c1-10-16(11(2)21-20-10)25(22,23)19-9-15-18-8-14(24-15)7-12-3-5-13(17)6-4-12/h3-6,8,19H,7,9H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110421238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).