N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C22H21N3O2S2 — CID 42351271

IUPACN,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H21N3O2S2/c1-24(15-18-9-4-2-5-10-18)29(26,27)21-17-25(16-19-11-6-3-7-12-19)23-22(21)20-13-8-14-28-20/h2-14,17H,15-16H2,1H3
InChIKeyVCCMFYYPTYOUPY-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.48
Rot. Bonds7

About N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351271) has the molecular formula C22H21N3O2S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351271
Molecular FormulaC22H21N3O2S2
Molecular Weight423.56 g/mol
Exact Mass423.11
IUPAC NameN,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H21N3O2S2/c1-24(15-18-9-4-2-5-10-18)29(26,27)21-17-25(16-19-11-6-3-7-12-19)23-22(21)20-13-8-14-28-20/h2-14,17H,15-16H2,1H3
InChIKeyVCCMFYYPTYOUPY-UHFFFAOYSA-N
XLogP4.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351271) is N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is VCCMFYYPTYOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S2/c1-24(15-18-9-4-2-5-10-18)29(26,27)21-17-25(16-19-11-6-3-7-12-19)23-22(21)20-13-8-14-28-20/h2-14,17H,15-16H2,1H3.
What are the key properties of N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 423.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).