4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide

C20H15FN4O3S — CID 163321142

IUPAC4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H15FN4O3S/c21-14-6-9-17-18(11-14)23-24-19(17)13-2-1-3-16(10-13)29(27,28)25-15-7-4-12(5-8-15)20(22)26/h1-11,25H,(H2,22,26)(H,23,24)
InChIKeyCPIXJBLUTUTAEN-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.27
Rot. Bonds5

About 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide

4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide (PubChem CID 163321142) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide
PubChem CID163321142
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H15FN4O3S/c21-14-6-9-17-18(11-14)23-24-19(17)13-2-1-3-16(10-13)29(27,28)25-15-7-4-12(5-8-15)20(22)26/h1-11,25H,(H2,22,26)(H,23,24)
InChIKeyCPIXJBLUTUTAEN-UHFFFAOYSA-N
XLogP3.27
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide (CID 163321142) is 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide is NC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1.
What is the InChIKey of 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is CPIXJBLUTUTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-14-6-9-17-18(11-14)23-24-19(17)13-2-1-3-16(10-13)29(27,28)25-15-7-4-12(5-8-15)20(22)26/h1-11,25H,(H2,22,26)(H,23,24).
What are the key properties of 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide?
4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 410.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-fluoro-1H-indazol-3-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 163321142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).