N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide

C20H15FN4O3S — CID 22567397

IUPACN-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc12)c1ccccc1
InChIInChI=1S/C20H15FN4O3S/c21-14-7-4-8-15(11-14)25-29(27,28)16-9-10-18-17(12-16)19(24-23-18)22-20(26)13-5-2-1-3-6-13/h1-12,25H,(H2,22,23,24,26)
InChIKeyDMJLGEKNPNRGMY-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.76
Rot. Bonds5

About N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide

N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide (PubChem CID 22567397) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
PubChem CID22567397
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc12)c1ccccc1
InChIInChI=1S/C20H15FN4O3S/c21-14-7-4-8-15(11-14)25-29(27,28)16-9-10-18-17(12-16)19(24-23-18)22-20(26)13-5-2-1-3-6-13/h1-12,25H,(H2,22,23,24,26)
InChIKeyDMJLGEKNPNRGMY-UHFFFAOYSA-N
XLogP3.76
TPSA103.95 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 ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide (CID 22567397) is N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide is O=C(Nc1n[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc12)c1ccccc1.
What is the InChIKey of N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
The InChIKey is DMJLGEKNPNRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-14-7-4-8-15(11-14)25-29(27,28)16-9-10-18-17(12-16)19(24-23-18)22-20(26)13-5-2-1-3-6-13/h1-12,25H,(H2,22,23,24,26).
What are the key properties of N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide has a molecular weight of 410.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 22567397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).