2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide

C20H19ClFN3O3S — CID 24856036

IUPAC2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C20H19ClFN3O3S/c1-20(2,29(27,28)17-10-9-14(21)11-15(17)22)19(26)23-18-12-16(24-25(18)3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,26)
InChIKeyOBJFUMJHENGERD-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide

2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide (PubChem CID 24856036) has the molecular formula C20H19ClFN3O3S and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide
PubChem CID24856036
Molecular FormulaC20H19ClFN3O3S
Molecular Weight435.91 g/mol
Exact Mass435.08
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C20H19ClFN3O3S/c1-20(2,29(27,28)17-10-9-14(21)11-15(17)22)19(26)23-18-12-16(24-25(18)3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,26)
InChIKeyOBJFUMJHENGERD-UHFFFAOYSA-N
XLogP4.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide (CID 24856036) is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide is Cn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide?
The InChIKey is OBJFUMJHENGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3S/c1-20(2,29(27,28)17-10-9-14(21)11-15(17)22)19(26)23-18-12-16(24-25(18)3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,26).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide?
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide has a molecular weight of 435.91 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)propanamide is sourced from PubChem (CID 24856036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).