3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C20H22N4O3S — CID 30186121

IUPAC3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H22N4O3S/c1-15(2)24-19(11-12-21-24)23-20(25)17-9-6-10-18(13-17)28(26,27)22-14-16-7-4-3-5-8-16/h3-13,15,22H,14H2,1-2H3,(H,23,25)
InChIKeyISLBEOCKNSTBLM-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.19
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide

3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 30186121) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID30186121
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H22N4O3S/c1-15(2)24-19(11-12-21-24)23-20(25)17-9-6-10-18(13-17)28(26,27)22-14-16-7-4-3-5-8-16/h3-13,15,22H,14H2,1-2H3,(H,23,25)
InChIKeyISLBEOCKNSTBLM-UHFFFAOYSA-N
XLogP3.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 55631775
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 30186121) is 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is ISLBEOCKNSTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15(2)24-19(11-12-21-24)23-20(25)17-9-6-10-18(13-17)28(26,27)22-14-16-7-4-3-5-8-16/h3-13,15,22H,14H2,1-2H3,(H,23,25).
What are the key properties of 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 398.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 30186121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).