N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C16H17N3O3S — CID 17375842

IUPACN-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O3S/c1-12-16(23(20,21)17-11-15-9-6-10-22-15)13(2)19(18-12)14-7-4-3-5-8-14/h3-10,17H,11H2,1-2H3
InChIKeyCINGPRJRJRKWAR-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.56
Rot. Bonds5

About N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 17375842) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID17375842
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O3S/c1-12-16(23(20,21)17-11-15-9-6-10-22-15)13(2)19(18-12)14-7-4-3-5-8-14/h3-10,17H,11H2,1-2H3
InChIKeyCINGPRJRJRKWAR-UHFFFAOYSA-N
XLogP2.56
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780903
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 17375842) is N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is CINGPRJRJRKWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-16(23(20,21)17-11-15-9-6-10-22-15)13(2)19(18-12)14-7-4-3-5-8-14/h3-10,17H,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 17375842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).