1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide

C24H20F2N2O4S — CID 175472714

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H20F2N2O4S/c1-16-6-12-19(13-7-16)33(30,31)27-23(29)21-15-28(22-5-3-2-4-20(21)22)14-17-8-10-18(11-9-17)32-24(25)26/h2-13,15,24H,14H2,1H3,(H,27,29)
InChIKeyLGCUFAQNWCPIIV-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.72
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide

1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide (PubChem CID 175472714) has the molecular formula C24H20F2N2O4S and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide
PubChem CID175472714
Molecular FormulaC24H20F2N2O4S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H20F2N2O4S/c1-16-6-12-19(13-7-16)33(30,31)27-23(29)21-15-28(22-5-3-2-4-20(21)22)14-17-8-10-18(11-9-17)32-24(25)26/h2-13,15,24H,14H2,1H3,(H,27,29)
InChIKeyLGCUFAQNWCPIIV-UHFFFAOYSA-N
XLogP4.72
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984505
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047
1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
CID 177344342
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1-[(4-methylphenyl)methyl]indole-3-carboxamide
CID 166984638
N-[(1R)-1-(1-benzylindol-3-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 139148652
N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984504
(2S)-2-(methylamino)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoic acid
CID 68812969
1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
CID 156653428
N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3641081
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide
CID 18444624

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide (CID 175472714) is 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide?
The InChIKey is LGCUFAQNWCPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O4S/c1-16-6-12-19(13-7-16)33(30,31)27-23(29)21-15-28(22-5-3-2-4-20(21)22)14-17-8-10-18(11-9-17)32-24(25)26/h2-13,15,24H,14H2,1H3,(H,27,29).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide is sourced from PubChem (CID 175472714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).