3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide

C26H26N4O3S — CID 17447862

IUPAC3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N4O3S/c1-19-25(20(2)30(27-19)23-13-6-4-7-14-23)18-29(3)26(31)21-11-10-12-22(17-21)28-34(32,33)24-15-8-5-9-16-24/h4-17,28H,18H2,1-3H3
InChIKeyGREABCONLWNEQG-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.56
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide

3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 17447862) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide
PubChem CID17447862
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N4O3S/c1-19-25(20(2)30(27-19)23-13-6-4-7-14-23)18-29(3)26(31)21-11-10-12-22(17-21)28-34(32,33)24-15-8-5-9-16-24/h4-17,28H,18H2,1-3H3
InChIKeyGREABCONLWNEQG-UHFFFAOYSA-N
XLogP4.56
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620
4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134034027
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 51331839
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 154835046
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfinylbenzamide
CID 51187625
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 32544801
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide (CID 17447862) is 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is GREABCONLWNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-25(20(2)30(27-19)23-13-6-4-7-14-23)18-29(3)26(31)21-11-10-12-22(17-21)28-34(32,33)24-15-8-5-9-16-24/h4-17,28H,18H2,1-3H3.
What are the key properties of 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide?
3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 474.59 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 17447862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).