N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C16H14F3N3O3S — CID 71797351

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1-c1ccco1
InChIInChI=1S/C16H14F3N3O3S/c1-22-14(15-3-2-8-25-15)9-12(21-22)10-20-26(23,24)13-6-4-11(5-7-13)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeyYCGABZQMRFVXMW-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.18
Rot. Bonds5

About N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71797351) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71797351
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1-c1ccco1
InChIInChI=1S/C16H14F3N3O3S/c1-22-14(15-3-2-8-25-15)9-12(21-22)10-20-26(23,24)13-6-4-11(5-7-13)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeyYCGABZQMRFVXMW-UHFFFAOYSA-N
XLogP3.18
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
CID 95732772
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
5-(furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 24865870
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91967754
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
3-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 71797339
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
CID 71797311
1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70851896

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 71797351) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YCGABZQMRFVXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-22-14(15-3-2-8-25-15)9-12(21-22)10-20-26(23,24)13-6-4-11(5-7-13)16(17,18)19/h2-9,20H,10H2,1H3.
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71797351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).