4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

C16H13F3N4O3S — CID 40663981

IUPAC4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)9-20-15(24)10-2-5-13(6-3-10)27(25,26)23-12-4-1-11-8-21-22-14(11)7-12/h1-8,23H,9H2,(H,20,24)(H,21,22)
InChIKeyUAPBXOCTZZVKMH-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.66
Rot. Bonds5

About 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 40663981) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID40663981
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)9-20-15(24)10-2-5-13(6-3-10)27(25,26)23-12-4-1-11-8-21-22-14(11)7-12/h1-8,23H,9H2,(H,20,24)(H,21,22)
InChIKeyUAPBXOCTZZVKMH-UHFFFAOYSA-N
XLogP2.66
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
CID 44528589
N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67454968
N-[cyclopropyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67455273
N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67456716
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022
N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457636
N-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]methyl]benzamide
CID 67462136
N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2345132
N-(1H-indazol-6-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 2346076
2-fluoro-N-(1H-indazol-6-yl)benzamide
CID 2353882

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 40663981) is 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UAPBXOCTZZVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c17-16(18,19)9-20-15(24)10-2-5-13(6-3-10)27(25,26)23-12-4-1-11-8-21-22-14(11)7-12/h1-8,23H,9H2,(H,20,24)(H,21,22).
What are the key properties of 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 398.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 40663981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).