4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

C21H25N3O2S — CID 34050741

IUPAC4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C21H25N3O2S/c1-17(2)14-18-8-10-21(11-9-18)27(25,26)23-15-19-6-3-4-7-20(19)16-24-13-5-12-22-24/h3-13,17,23H,14-16H2,1-2H3
InChIKeySZVPITJEQLUUCG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.61
Rot. Bonds8

About 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 34050741) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID34050741
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C21H25N3O2S/c1-17(2)14-18-8-10-21(11-9-18)27(25,26)23-15-19-6-3-4-7-20(19)16-24-13-5-12-22-24/h3-13,17,23H,14-16H2,1-2H3
InChIKeySZVPITJEQLUUCG-UHFFFAOYSA-N
XLogP3.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22771286
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419539
1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole
CID 6621128
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 46427546
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 38813024

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 34050741) is 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SZVPITJEQLUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-17(2)14-18-8-10-21(11-9-18)27(25,26)23-15-19-6-3-4-7-20(19)16-24-13-5-12-22-24/h3-13,17,23H,14-16H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 34050741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).