N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide

C16H15N3O4S — CID 71978749

IUPACN-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NS(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O4S/c1-12-15(7-8-23-12)16(20)18-24(21,22)14-9-17-19(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyQJDMWZLCXDCFFD-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.95
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide

N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide (PubChem CID 71978749) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide
PubChem CID71978749
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NS(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O4S/c1-12-15(7-8-23-12)16(20)18-24(21,22)14-9-17-19(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyQJDMWZLCXDCFFD-UHFFFAOYSA-N
XLogP1.95
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 9231287
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
ethyl 5-acetyl-2-[(1-benzylpyrazol-4-yl)sulfonylamino]-1,3-thiazole-4-carboxylate
CID 100667915
N-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55841381
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide
CID 71909646
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
(3-acetylphenyl) 1-benzylpyrazole-4-sulfonate
CID 86870349

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide (CID 71978749) is N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NS(=O)(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide?
The InChIKey is QJDMWZLCXDCFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-12-15(7-8-23-12)16(20)18-24(21,22)14-9-17-19(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide?
N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 71978749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).