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

C17H22ClN3O3S — CID 42110612

IUPAC4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1
InChIInChI=1S/C17H22ClN3O3S/c1-12(2)21-16(11-13(3)20-21)19-17(22)5-4-10-25(23,24)15-8-6-14(18)7-9-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyVJTDOJZUULEPOF-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.62
Rot. Bonds7

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

4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide (PubChem CID 42110612) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide
PubChem CID42110612
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1
InChIInChI=1S/C17H22ClN3O3S/c1-12(2)21-16(11-13(3)20-21)19-17(22)5-4-10-25(23,24)15-8-6-14(18)7-9-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyVJTDOJZUULEPOF-UHFFFAOYSA-N
XLogP3.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.62
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-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide (CID 42110612) is 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide is Cc1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide?
The InChIKey is VJTDOJZUULEPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-12(2)21-16(11-13(3)20-21)19-17(22)5-4-10-25(23,24)15-8-6-14(18)7-9-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,22).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide?
4-(4-chlorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide has a molecular weight of 383.90 g/mol, XLogP of 3.62, 7 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-(5-methyl-2-propan-2-ylpyrazol-3-yl)butanamide is sourced from PubChem (CID 42110612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).