N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide

C25H23F3N2O3S — CID 141421549

IUPACN-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide
SMILESCC(C)(c1ccc(F)cc1)c1cc(OC(F)F)cc(-n2ccc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C25H23F3N2O3S/c1-25(2,17-5-7-19(26)8-6-17)18-12-21(15-22(13-18)33-24(27)28)30-11-10-16-4-9-20(14-23(16)30)29-34(3,31)32/h4-15,24,29H,1-3H3
InChIKeyAPOZVPXWBCAKNZ-UHFFFAOYSA-N
MW488.53 g/mol
LogP6.07
Rot. Bonds7

About N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide

N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide (PubChem CID 141421549) has the molecular formula C25H23F3N2O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide
PubChem CID141421549
Molecular FormulaC25H23F3N2O3S
Molecular Weight488.53 g/mol
Exact Mass488.14
IUPAC NameN-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide
SMILESCC(C)(c1ccc(F)cc1)c1cc(OC(F)F)cc(-n2ccc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C25H23F3N2O3S/c1-25(2,17-5-7-19(26)8-6-17)18-12-21(15-22(13-18)33-24(27)28)30-11-10-16-4-9-20(14-23(16)30)29-34(3,31)32/h4-15,24,29H,1-3H3
InChIKeyAPOZVPXWBCAKNZ-UHFFFAOYSA-N
XLogP6.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide (CID 141421549) is N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide is CC(C)(c1ccc(F)cc1)c1cc(OC(F)F)cc(-n2ccc3ccc(NS(C)(=O)=O)cc32)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide?
The InChIKey is APOZVPXWBCAKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3S/c1-25(2,17-5-7-19(26)8-6-17)18-12-21(15-22(13-18)33-24(27)28)30-11-10-16-4-9-20(14-23(16)30)29-34(3,31)32/h4-15,24,29H,1-3H3.
What are the key properties of N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide?
N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide has a molecular weight of 488.53 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)-5-[2-(4-fluorophenyl)propan-2-yl]phenyl]indol-6-yl]methanesulfonamide is sourced from PubChem (CID 141421549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).