2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide

C17H20ClN3O3S — CID 58198599

IUPAC2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-17(2,25(23,24)13-8-6-12(18)7-9-13)16(22)19-15-10-14(11-4-5-11)20-21(15)3/h6-11H,4-5H2,1-3H3,(H,19,22)
InChIKeyMLBLWEJBUAEYCH-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide

2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide (PubChem CID 58198599) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
PubChem CID58198599
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-17(2,25(23,24)13-8-6-12(18)7-9-13)16(22)19-15-10-14(11-4-5-11)20-21(15)3/h6-11H,4-5H2,1-3H3,(H,19,22)
InChIKeyMLBLWEJBUAEYCH-UHFFFAOYSA-N
XLogP3.14
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.14
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-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide (CID 58198599) is 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide is Cn1nc(C2CC2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
The InChIKey is MLBLWEJBUAEYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-17(2,25(23,24)13-8-6-12(18)7-9-13)16(22)19-15-10-14(11-4-5-11)20-21(15)3/h6-11H,4-5H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide?
2-(4-chlorophenyl)sulfonyl-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide has a molecular weight of 381.89 g/mol, XLogP of 3.14, 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-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 58198599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).