2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide

C26H30F3N3O4S — CID 127025753

IUPAC2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cc1
InChIInChI=1S/C26H30F3N3O4S/c1-26(2,3)37(34,35)31-16-11-9-15(10-12-16)23-22(24(30)33)18-13-19(27)21(36-25(28)29)14-20(18)32(23)17-7-5-4-6-8-17/h9-14,17,25,31H,4-8H2,1-3H3,(H2,30,33)
InChIKeyCQDSXYOVMHALPF-UHFFFAOYSA-N
MW537.60 g/mol
LogP6.19
Rot. Bonds7

About 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide

2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide (PubChem CID 127025753) has the molecular formula C26H30F3N3O4S and a molecular weight of 537.60 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
PubChem CID127025753
Molecular FormulaC26H30F3N3O4S
Molecular Weight537.60 g/mol
Exact Mass537.19
IUPAC Name2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cc1
InChIInChI=1S/C26H30F3N3O4S/c1-26(2,3)37(34,35)31-16-11-9-15(10-12-16)23-22(24(30)33)18-13-19(27)21(36-25(28)29)14-20(18)32(23)17-7-5-4-6-8-17/h9-14,17,25,31H,4-8H2,1-3H3,(H2,30,33)
InChIKeyCQDSXYOVMHALPF-UHFFFAOYSA-N
XLogP6.19
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxyphenyl)-N-(Phenylsulfonyl)-1-[3-(Trifluoromethyl)benzyl]-1h-Indole-2-Carboxamide
CID 9549238
1-benzyl-N-(3,4-difluorobenzyl)-6-ethoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059487
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-propoxy-1H-indole-3-carboxamide
CID 25059488
1-Benzyl-N-(3,4-difluorobenzyl)-6-isopropoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059745
2-[4-(Tert-butylsulfonylamino)-2-fluorophenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
CID 127028284
2-[4-(Tert-butylsulfonylamino)-2-methylphenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
CID 127028285
2-[4-(Tert-butylsulfonylamino)-2-chlorophenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
CID 127028286
N-[(3-methoxyphenyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
CID 8069451
N-[4-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051493
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-1-sulfonamide
CID 25051674
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-2-sulfonamide
CID 25051838
Ethanesulfonic acid [4-(3-cyano-1-ethyl-6-trifluoromethoxyindol-2-yl)phenyl]amide
CID 46946630

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide?
The IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide (CID 127025753) is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide.
What is the SMILES notation for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide?
The canonical SMILES for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide is CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cc1.
What is the InChIKey of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide?
The InChIKey is CQDSXYOVMHALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O4S/c1-26(2,3)37(34,35)31-16-11-9-15(10-12-16)23-22(24(30)33)18-13-19(27)21(36-25(28)29)14-20(18)32(23)17-7-5-4-6-8-17/h9-14,17,25,31H,4-8H2,1-3H3,(H2,30,33).
What are the key properties of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide?
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide is sourced from PubChem (CID 127025753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).