4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

C20H19ClN4O4S — CID 55978865

IUPAC4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)ccc1Cl
InChIInChI=1S/C20H19ClN4O4S/c1-30(28,29)18-11-15(6-7-17(18)21)20(27)22-12-14-4-2-5-16(10-14)24-19(26)13-25-9-3-8-23-25/h2-11H,12-13H2,1H3,(H,22,27)(H,24,26)
InChIKeyPTFHRTZXSJNXDQ-UHFFFAOYSA-N
MW446.92 g/mol
LogP2.51
Rot. Bonds7

About 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (PubChem CID 55978865) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
PubChem CID55978865
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)ccc1Cl
InChIInChI=1S/C20H19ClN4O4S/c1-30(28,29)18-11-15(6-7-17(18)21)20(27)22-12-14-4-2-5-16(10-14)24-19(26)13-25-9-3-8-23-25/h2-11H,12-13H2,1H3,(H,22,27)(H,24,26)
InChIKeyPTFHRTZXSJNXDQ-UHFFFAOYSA-N
XLogP2.51
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55954551
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
2-(4-piperidin-1-ylsulfonylphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55978727
2-methyl-3-nitro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953520
methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 26274916
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55955069
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 55954545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (CID 55978865) is 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is CS(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is PTFHRTZXSJNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-30(28,29)18-11-15(6-7-17(18)21)20(27)22-12-14-4-2-5-16(10-14)24-19(26)13-25-9-3-8-23-25/h2-11H,12-13H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 446.92 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55978865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).