N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide

C22H15Cl2F2N3O4S — CID 166984504

IUPACN-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H15Cl2F2N3O4S/c23-14-7-10-19(17(24)11-14)34(31,32)28-21(30)20-16-3-1-2-4-18(16)29(27-20)12-13-5-8-15(9-6-13)33-22(25)26/h1-11,22H,12H2,(H,28,30)
InChIKeyLJYWJKABMWIPIS-UHFFFAOYSA-N
MW526.35 g/mol
LogP5.11
Rot. Bonds7

About N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide

N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide (PubChem CID 166984504) has the molecular formula C22H15Cl2F2N3O4S and a molecular weight of 526.35 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
PubChem CID166984504
Molecular FormulaC22H15Cl2F2N3O4S
Molecular Weight526.35 g/mol
Exact Mass525.01
IUPAC NameN-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H15Cl2F2N3O4S/c23-14-7-10-19(17(24)11-14)34(31,32)28-21(30)20-16-3-1-2-4-18(16)29(27-20)12-13-5-8-15(9-6-13)33-22(25)26/h1-11,22H,12H2,(H,28,30)
InChIKeyLJYWJKABMWIPIS-UHFFFAOYSA-N
XLogP5.11
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984505
N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
CID 141202072
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
CID 166984898
1-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)sulfonylindazole-3-carboxamide
CID 175040525
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488
1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984685
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
CID 11704695
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide
CID 50902279
1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide
CID 175472714

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide (CID 166984504) is N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1Cl)c1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12.
What is the InChIKey of N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The InChIKey is LJYWJKABMWIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2N3O4S/c23-14-7-10-19(17(24)11-14)34(31,32)28-21(30)20-16-3-1-2-4-18(16)29(27-20)12-13-5-8-15(9-6-13)33-22(25)26/h1-11,22H,12H2,(H,28,30).
What are the key properties of N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide has a molecular weight of 526.35 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).