1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide

C16H17N3O3S — CID 42282996

IUPAC1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O3S/c1-13-16(23(20,21)17-10-15-8-5-9-22-15)12-19(18-13)11-14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3
InChIKeyLCKZYCSTQCLMIY-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.31
Rot. Bonds6

About 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide

1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 42282996) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
PubChem CID42282996
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O3S/c1-13-16(23(20,21)17-10-15-8-5-9-22-15)12-19(18-13)11-14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3
InChIKeyLCKZYCSTQCLMIY-UHFFFAOYSA-N
XLogP2.31
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide 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

1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42283119
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide (CID 42282996) is 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is LCKZYCSTQCLMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-13-16(23(20,21)17-10-15-8-5-9-22-15)12-19(18-13)11-14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide?
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).