4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C20H23N3O2S — CID 22205818

IUPAC4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H23N3O2S/c1-16(2)13-17-7-9-20(10-8-17)26(24,25)22-19-6-3-5-18(14-19)15-23-12-4-11-21-23/h3-12,14,16,22H,13,15H2,1-2H3
InChIKeyDMBABKNVAGQUOA-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.93
Rot. Bonds7

About 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 22205818) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID22205818
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H23N3O2S/c1-16(2)13-17-7-9-20(10-8-17)26(24,25)22-19-6-3-5-18(14-19)15-23-12-4-11-21-23/h3-12,14,16,22H,13,15H2,1-2H3
InChIKeyDMBABKNVAGQUOA-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050741
2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 39331258
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 22772069
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 171134294
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 22205818) is 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is DMBABKNVAGQUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16(2)13-17-7-9-20(10-8-17)26(24,25)22-19-6-3-5-18(14-19)15-23-12-4-11-21-23/h3-12,14,16,22H,13,15H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22205818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).