N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide

C23H21N3O2S — CID 42348958

IUPACN-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-25(17-19-11-5-2-6-12-19)29(27,28)22-18-26(21-15-9-4-10-16-21)24-23(22)20-13-7-3-8-14-20/h2-16,18H,17H2,1H3
InChIKeySZQZHQCRVKEHCQ-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.36
Rot. Bonds6

About N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide

N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide (PubChem CID 42348958) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
PubChem CID42348958
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-25(17-19-11-5-2-6-12-19)29(27,28)22-18-26(21-15-9-4-10-16-21)24-23(22)20-13-7-3-8-14-20/h2-16,18H,17H2,1H3
InChIKeySZQZHQCRVKEHCQ-UHFFFAOYSA-N
XLogP4.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 46644099
N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349121
N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351837
N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351271
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901
N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
CID 175262057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide (CID 42348958) is N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide?
The InChIKey is SZQZHQCRVKEHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-25(17-19-11-5-2-6-12-19)29(27,28)22-18-26(21-15-9-4-10-16-21)24-23(22)20-13-7-3-8-14-20/h2-16,18H,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide?
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42348958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).