4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

C14H19N3O3S — CID 115686434

IUPAC4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-20-11-5-7-12(8-6-11)21(18,19)17-14-9-13(10(2)3)15-16-14/h5-10H,4H2,1-3H3,(H2,15,16,17)
InChIKeyJVWWPLOWDRRSCL-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.73
Rot. Bonds6

About 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 115686434) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID115686434
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-20-11-5-7-12(8-6-11)21(18,19)17-14-9-13(10(2)3)15-16-14/h5-10H,4H2,1-3H3,(H2,15,16,17)
InChIKeyJVWWPLOWDRRSCL-UHFFFAOYSA-N
XLogP2.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 115686434) is 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)cc1.
What is the InChIKey of 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is JVWWPLOWDRRSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-20-11-5-7-12(8-6-11)21(18,19)17-14-9-13(10(2)3)15-16-14/h5-10H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 115686434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).