2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide

C21H12Cl2F3N3O3S — CID 69282264

IUPAC2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3)c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C21H12Cl2F3N3O3S/c22-13-3-1-4-15(9-13)33(31,32)29-18-10-14(8-7-12(18)11-27-29)28-20(30)19-16(21(24,25)26)5-2-6-17(19)23/h1-11H,(H,28,30)
InChIKeyJFLXEBGCXYFLKN-UHFFFAOYSA-N
MW514.31 g/mol
LogP5.85
Rot. Bonds4

About 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide

2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (PubChem CID 69282264) has the molecular formula C21H12Cl2F3N3O3S and a molecular weight of 514.31 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
PubChem CID69282264
Molecular FormulaC21H12Cl2F3N3O3S
Molecular Weight514.31 g/mol
Exact Mass512.99
IUPAC Name2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3)c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C21H12Cl2F3N3O3S/c22-13-3-1-4-15(9-13)33(31,32)29-18-10-14(8-7-12(18)11-27-29)28-20(30)19-16(21(24,25)26)5-2-6-17(19)23/h1-11H,(H,28,30)
InChIKeyJFLXEBGCXYFLKN-UHFFFAOYSA-N
XLogP5.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.31
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide
CID 118033522
2,6-dichloro-N-[1-(4-fluorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 118033506
2-[1-(3-tert-butylphenyl)sulfonylindazol-6-yl]-1-(2,6-dichlorophenyl)ethanone
CID 160609969
2-chloro-N-[(2R)-4-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)benzamide
CID 69282396
1-(2-chloro-6-fluorophenyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]ethanone
CID 157228939
N-[3-bromo-1-(3-methylphenyl)sulfonylindazol-6-yl]-2-chloro-6-fluorobenzamide
CID 123502212
1-(2-chloro-6-fluorophenyl)-2-[1-(4-chloro-3-fluorophenyl)sulfonylindazol-6-yl]ethanone
CID 161122540
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
N-[3-acetamido-1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-pyrido[2,3-b][1,4]oxazepin-8-yl]-2,6-dichlorobenzamide
CID 123864914
2-fluoro-N-[1-[2-(3-methoxyphenyl)-2-oxoacetyl]indazol-6-yl]-6-(trifluoromethyl)benzamide
CID 123254360
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123502628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (CID 69282264) is 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3)c2c1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is JFLXEBGCXYFLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F3N3O3S/c22-13-3-1-4-15(9-13)33(31,32)29-18-10-14(8-7-12(18)11-27-29)28-20(30)19-16(21(24,25)26)5-2-6-17(19)23/h1-11H,(H,28,30).
What are the key properties of 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 514.31 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 69282264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).