4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C20H21N3O3S — CID 55970703

IUPAC4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-15(2)27(25,26)19-10-6-17(7-11-19)20(24)22-18-8-4-16(5-9-18)14-23-13-3-12-21-23/h3-13,15H,14H2,1-2H3,(H,22,24)
InChIKeyCBABBSAOCNQSLE-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.37
Rot. Bonds6

About 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55970703) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55970703
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-15(2)27(25,26)19-10-6-17(7-11-19)20(24)22-18-8-4-16(5-9-18)14-23-13-3-12-21-23/h3-13,15H,14H2,1-2H3,(H,22,24)
InChIKeyCBABBSAOCNQSLE-UHFFFAOYSA-N
XLogP3.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
CID 174850179
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55970703) is 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is CBABBSAOCNQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15(2)27(25,26)19-10-6-17(7-11-19)20(24)22-18-8-4-16(5-9-18)14-23-13-3-12-21-23/h3-13,15H,14H2,1-2H3,(H,22,24).
What are the key properties of 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55970703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).