2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide

C20H14ClFN4O3S — CID 4159659

IUPAC2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C20H14ClFN4O3S/c21-18-8-7-16(30(28,29)26-14-5-2-13(22)3-6-14)10-17(18)20(27)24-15-4-1-12-11-23-25-19(12)9-15/h1-11,26H,(H,23,25)(H,24,27)
InChIKeyZOMRHXBJCKNZOD-UHFFFAOYSA-N
MW444.88 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide (PubChem CID 4159659) has the molecular formula C20H14ClFN4O3S and a molecular weight of 444.88 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide
PubChem CID4159659
Molecular FormulaC20H14ClFN4O3S
Molecular Weight444.88 g/mol
Exact Mass444.05
IUPAC Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C20H14ClFN4O3S/c21-18-8-7-16(30(28,29)26-14-5-2-13(22)3-6-14)10-17(18)20(27)24-15-4-1-12-11-23-25-19(12)9-15/h1-11,26H,(H,23,25)(H,24,27)
InChIKeyZOMRHXBJCKNZOD-UHFFFAOYSA-N
XLogP4.41
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 2346076
N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2374283
4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2405863
N-(1H-indazol-6-yl)(2,6-dichlorophenyl)carboxamide
CID 2354515
2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 90088402
2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
CID 501343
2-chloro-6-fluoro-N-(1H-indazol-6-yl)benzamide
CID 5146616
N-(3-chloro-4-fluoro-phenyl)-2-methyl-6-(1H-pyrazol-4-ylsulfonylamino)indazole-3-carboxamide
CID 172054059
5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one
CID 67505326
2-chloro-6-fluoro-N-[1-(4-fluorobenzenesulfonyl)-1H-indazol-6-yl]benzamide
CID 69093148
2-chloro-6-fluoro-N-[1-(3-trifluoromethylbenzenesulfonyl)-3-vinyl-1H-indazol-6-yl]benzamide
CID 69093369
2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 69282264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide (CID 4159659) is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide?
The InChIKey is ZOMRHXBJCKNZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O3S/c21-18-8-7-16(30(28,29)26-14-5-2-13(22)3-6-14)10-17(18)20(27)24-15-4-1-12-11-23-25-19(12)9-15/h1-11,26H,(H,23,25)(H,24,27).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide?
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide has a molecular weight of 444.88 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 4159659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).