3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide

C16H15Cl2N3O3S — CID 146600973

IUPAC3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
SMILESCC(C)n1ncc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)ccc21
InChIInChI=1S/C16H15Cl2N3O3S/c1-9(2)21-14-4-3-12(5-10(14)8-19-21)20-25(23,24)15-7-11(17)6-13(18)16(15)22/h3-9,20,22H,1-2H3
InChIKeyZHELENJZIXLAAK-UHFFFAOYSA-N
MW400.29 g/mol
LogP4.43
Rot. Bonds4

About 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide

3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide (PubChem CID 146600973) has the molecular formula C16H15Cl2N3O3S and a molecular weight of 400.29 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
PubChem CID146600973
Molecular FormulaC16H15Cl2N3O3S
Molecular Weight400.29 g/mol
Exact Mass399.02
IUPAC Name3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
SMILESCC(C)n1ncc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)ccc21
InChIInChI=1S/C16H15Cl2N3O3S/c1-9(2)21-14-4-3-12(5-10(14)8-19-21)20-25(23,24)15-7-11(17)6-13(18)16(15)22/h3-9,20,22H,1-2H3
InChIKeyZHELENJZIXLAAK-UHFFFAOYSA-N
XLogP4.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide (CID 146600973) is 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide is CC(C)n1ncc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)ccc21.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide?
The InChIKey is ZHELENJZIXLAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3S/c1-9(2)21-14-4-3-12(5-10(14)8-19-21)20-25(23,24)15-7-11(17)6-13(18)16(15)22/h3-9,20,22H,1-2H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide has a molecular weight of 400.29 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 146600973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).