1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

C26H22F3N3O4S — CID 135236241

IUPAC1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cc(OC(F)F)cc(C4(c5ccc(F)cc5)CC4)c3)c2c1
InChIInChI=1S/C26H22F3N3O4S/c1-37(34,35)31-19-7-2-15-10-23(24(30)33)32(22(15)13-19)20-11-17(12-21(14-20)36-25(28)29)26(8-9-26)16-3-5-18(27)6-4-16/h2-7,10-14,25,31H,8-9H2,1H3,(H2,30,33)
InChIKeyYPWBFQOODBPROU-UHFFFAOYSA-N
MW529.54 g/mol
LogP4.92
Rot. Bonds8

About 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide (PubChem CID 135236241) has the molecular formula C26H22F3N3O4S and a molecular weight of 529.54 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
PubChem CID135236241
Molecular FormulaC26H22F3N3O4S
Molecular Weight529.54 g/mol
Exact Mass529.13
IUPAC Name1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cc(OC(F)F)cc(C4(c5ccc(F)cc5)CC4)c3)c2c1
InChIInChI=1S/C26H22F3N3O4S/c1-37(34,35)31-19-7-2-15-10-23(24(30)33)32(22(15)13-19)20-11-17(12-21(14-20)36-25(28)29)26(8-9-26)16-3-5-18(27)6-4-16/h2-7,10-14,25,31H,8-9H2,1H3,(H2,30,33)
InChIKeyYPWBFQOODBPROU-UHFFFAOYSA-N
XLogP4.92
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide with MolForge

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Related Compounds

1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
CID 135236145
1-[3-(cyanomethyl)-5-(2,4-difluorophenyl)phenyl]-6-(methanesulfonamido)indole-2-carboxamide
CID 135236187
N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide
CID 141421549
6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide
CID 135236200
1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide
CID 135236248
N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide
CID 141421584
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
1-(difluoromethoxy)-3-(sulfamoylamino)benzene
CID 112573446
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate
CID 86804274
[2-(4-fluoroanilino)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 29312667
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide (CID 135236241) is 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide is CS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cc(OC(F)F)cc(C4(c5ccc(F)cc5)CC4)c3)c2c1.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The InChIKey is YPWBFQOODBPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4S/c1-37(34,35)31-19-7-2-15-10-23(24(30)33)32(22(15)13-19)20-11-17(12-21(14-20)36-25(28)29)26(8-9-26)16-3-5-18(27)6-4-16/h2-7,10-14,25,31H,8-9H2,1H3,(H2,30,33).
What are the key properties of 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide has a molecular weight of 529.54 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-[1-(4-fluorophenyl)cyclopropyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide is sourced from PubChem (CID 135236241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).