N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C17H19N3O3S — CID 126851040

IUPACN-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-17(13(2)20(3)19-12)24(21,22)18-10-14-4-6-15(7-5-14)16-8-9-23-11-16/h4-9,11,18H,10H2,1-3H3
InChIKeyQNFPPCXYPRBTBD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.78
Rot. Bonds5

About N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 126851040) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID126851040
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-17(13(2)20(3)19-12)24(21,22)18-10-14-4-6-15(7-5-14)16-8-9-23-11-16/h4-9,11,18H,10H2,1-3H3
InChIKeyQNFPPCXYPRBTBD-UHFFFAOYSA-N
XLogP2.78
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 119103346
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(furan-3-yl)phenyl]methyl]benzenesulfonamide
CID 126855012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 126851040) is N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QNFPPCXYPRBTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-17(13(2)20(3)19-12)24(21,22)18-10-14-4-6-15(7-5-14)16-8-9-23-11-16/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126851040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).