N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C20H12F2N4O3S — CID 154862343

IUPACN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)c3cccc1c23
InChIInChI=1S/C20H12F2N4O3S/c21-13-6-2-3-10(19(13)22)15-9-17(25-24-15)26-30(28,29)16-8-7-14-18-11(16)4-1-5-12(18)20(27)23-14/h1-9H,(H,23,27)(H2,24,25,26)
InChIKeyVGOGLTOANCEJGN-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.87
Rot. Bonds4

About N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 154862343) has the molecular formula C20H12F2N4O3S and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID154862343
Molecular FormulaC20H12F2N4O3S
Molecular Weight426.40 g/mol
Exact Mass426.06
IUPAC NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)c3cccc1c23
InChIInChI=1S/C20H12F2N4O3S/c21-13-6-2-3-10(19(13)22)15-9-17(25-24-15)26-30(28,29)16-8-7-14-18-11(16)4-1-5-12(18)20(27)23-14/h1-9H,(H,23,27)(H2,24,25,26)
InChIKeyVGOGLTOANCEJGN-UHFFFAOYSA-N
XLogP3.87
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 154862343) is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)c3cccc1c23.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is VGOGLTOANCEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O3S/c21-13-6-2-3-10(19(13)22)15-9-17(25-24-15)26-30(28,29)16-8-7-14-18-11(16)4-1-5-12(18)20(27)23-14/h1-9H,(H,23,27)(H2,24,25,26).
What are the key properties of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 426.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 154862343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).