4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide

C16H20ClN3O3S — CID 55823586

IUPAC4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O3S/c1-11-16(12(2)20(3)18-11)24(22,23)19-15(21)6-4-5-13-7-9-14(17)10-8-13/h7-10H,4-6H2,1-3H3,(H,19,21)
InChIKeyXYYQOEKJIPWSNJ-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.52
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide

4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide (PubChem CID 55823586) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
PubChem CID55823586
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O3S/c1-11-16(12(2)20(3)18-11)24(22,23)19-15(21)6-4-5-13-7-9-14(17)10-8-13/h7-10H,4-6H2,1-3H3,(H,19,21)
InChIKeyXYYQOEKJIPWSNJ-UHFFFAOYSA-N
XLogP2.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide (CID 55823586) is 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
The InChIKey is XYYQOEKJIPWSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-11-16(12(2)20(3)18-11)24(22,23)19-15(21)6-4-5-13-7-9-14(17)10-8-13/h7-10H,4-6H2,1-3H3,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide has a molecular weight of 369.87 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide is sourced from PubChem (CID 55823586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).