2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide

C17H22ClN3O3S — CID 58198592

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide
SMILESCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C17H22ClN3O3S/c1-11(2)14-10-15(21(5)20-14)19-16(22)17(3,4)25(23,24)13-8-6-12(18)7-9-13/h6-11H,1-5H3,(H,19,22)
InChIKeyPKBQWGUQKIOKOG-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide (PubChem CID 58198592) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide
PubChem CID58198592
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide
SMILESCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C17H22ClN3O3S/c1-11(2)14-10-15(21(5)20-14)19-16(22)17(3,4)25(23,24)13-8-6-12(18)7-9-13/h6-11H,1-5H3,(H,19,22)
InChIKeyPKBQWGUQKIOKOG-UHFFFAOYSA-N
XLogP3.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide (CID 58198592) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide is CC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide?
The InChIKey is PKBQWGUQKIOKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-11(2)14-10-15(21(5)20-14)19-16(22)17(3,4)25(23,24)13-8-6-12(18)7-9-13/h6-11H,1-5H3,(H,19,22).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide has a molecular weight of 383.90 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide is sourced from PubChem (CID 58198592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).