2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C14H16ClN3O3S — CID 78772248

IUPAC2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C14H16ClN3O3S/c1-9(2)18-13(6-7-16-18)17-14(19)11-8-10(22(3,20)21)4-5-12(11)15/h4-9H,1-3H3,(H,17,19)
InChIKeyIGHDGQRGTJRWSH-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 78772248) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID78772248
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C14H16ClN3O3S/c1-9(2)18-13(6-7-16-18)17-14(19)11-8-10(22(3,20)21)4-5-12(11)15/h4-9H,1-3H3,(H,17,19)
InChIKeyIGHDGQRGTJRWSH-UHFFFAOYSA-N
XLogP2.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-methylsulfonylbenzamide
CID 78806729
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186458
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 16568046
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylsulfonylbenzoate
CID 7744572
3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62187265
4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112702320
2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 107073845
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106685589
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 79777050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 78772248) is 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is IGHDGQRGTJRWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-9(2)18-13(6-7-16-18)17-14(19)11-8-10(22(3,20)21)4-5-12(11)15/h4-9H,1-3H3,(H,17,19).
What are the key properties of 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 341.82 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 78772248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).