N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide

C23H16F2N4O4S — CID 166984505

IUPACN-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H16F2N4O4S/c24-23(25)33-17-9-5-16(6-10-17)14-29-20-4-2-1-3-19(20)21(27-29)22(30)28-34(31,32)18-11-7-15(13-26)8-12-18/h1-12,23H,14H2,(H,28,30)
InChIKeyIGCCIRVFYYVZSN-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.68
Rot. Bonds7

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

N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide (PubChem CID 166984505) has the molecular formula C23H16F2N4O4S and a molecular weight of 482.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
PubChem CID166984505
Molecular FormulaC23H16F2N4O4S
Molecular Weight482.47 g/mol
Exact Mass482.09
IUPAC NameN-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H16F2N4O4S/c24-23(25)33-17-9-5-16(6-10-17)14-29-20-4-2-1-3-19(20)21(27-29)22(30)28-34(31,32)18-11-7-15(13-26)8-12-18/h1-12,23H,14H2,(H,28,30)
InChIKeyIGCCIRVFYYVZSN-UHFFFAOYSA-N
XLogP3.68
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984504
1-[(4-cyanophenyl)methyl]-N-[1-[2-[(4-cyanophenyl)sulfonylamino]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 143855841
1-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)sulfonylindazole-3-carboxamide
CID 175040525
1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide
CID 175472714
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
CID 141202072
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-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)butan-2-yl]indazole-3-carboxamide
CID 58124229
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
CID 166984898
1-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1S)-3-oxocyclopentyl]amino]butan-2-yl]indazole-3-carboxamide
CID 58124254
1-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-oxo-1-[[(3R)-5-oxopyrrolidin-3-yl]amino]butan-2-yl]indazole-3-carboxamide
CID 70795497

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide (CID 166984505) is N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide is N#Cc1ccc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
The InChIKey is IGCCIRVFYYVZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O4S/c24-23(25)33-17-9-5-16(6-10-17)14-29-20-4-2-1-3-19(20)21(27-29)22(30)28-34(31,32)18-11-7-15(13-26)8-12-18/h1-12,23H,14H2,(H,28,30).
What are the key properties of N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide?
N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).