N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C21H19N3O2S2 — CID 42349835

IUPACN-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c(-c2cccs2)n1
InChIInChI=1S/C21H19N3O2S2/c1-23-16-20(21(22-23)19-13-8-14-27-19)28(25,26)24(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-14,16H,15H2,1H3
InChIKeyIWPCXPPRLVKHEJ-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.54
Rot. Bonds6

About N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349835) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349835
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC NameN-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c(-c2cccs2)n1
InChIInChI=1S/C21H19N3O2S2/c1-23-16-20(21(22-23)19-13-8-14-27-19)28(25,26)24(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-14,16H,15H2,1H3
InChIKeyIWPCXPPRLVKHEJ-UHFFFAOYSA-N
XLogP4.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351271
N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351837
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282442
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3460622
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349835) is N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c(-c2cccs2)n1.
What is the InChIKey of N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is IWPCXPPRLVKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-23-16-20(21(22-23)19-13-8-14-27-19)28(25,26)24(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-14,16H,15H2,1H3.
What are the key properties of N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 409.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).