4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide

C15H18ClN3O3S — CID 42109670

IUPAC4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O3S/c1-11-10-14(19(2)18-11)17-15(20)4-3-9-23(21,22)13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyJZGHEJGUTAEJJB-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.57
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide

4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide (PubChem CID 42109670) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide
PubChem CID42109670
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O3S/c1-11-10-14(19(2)18-11)17-15(20)4-3-9-23(21,22)13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyJZGHEJGUTAEJJB-UHFFFAOYSA-N
XLogP2.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide (CID 42109670) is 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide is Cc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide?
The InChIKey is JZGHEJGUTAEJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-11-10-14(19(2)18-11)17-15(20)4-3-9-23(21,22)13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide?
4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide has a molecular weight of 355.85 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)butanamide is sourced from PubChem (CID 42109670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).