N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide

C23H21F2N3O3S — CID 58694406

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
SMILESN#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC(F)F)ccc12
InChIInChI=1S/C23H21F2N3O3S/c24-23(25)31-17-8-11-19-20(13-26)22(28(21(19)12-17)16-2-1-3-16)14-4-6-15(7-5-14)27-32(29,30)18-9-10-18/h4-8,11-12,16,18,23,27H,1-3,9-10H2
InChIKeyVTQCRQIZBAUWHP-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.41
Rot. Bonds7

About N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide

N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide (PubChem CID 58694406) has the molecular formula C23H21F2N3O3S and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
PubChem CID58694406
Molecular FormulaC23H21F2N3O3S
Molecular Weight457.50 g/mol
Exact Mass457.13
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
SMILESN#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC(F)F)ccc12
InChIInChI=1S/C23H21F2N3O3S/c24-23(25)31-17-8-11-19-20(13-26)22(28(21(19)12-17)16-2-1-3-16)14-4-6-15(7-5-14)27-32(29,30)18-9-10-18/h4-8,11-12,16,18,23,27H,1-3,9-10H2
InChIKeyVTQCRQIZBAUWHP-UHFFFAOYSA-N
XLogP5.41
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide (CID 58694406) is N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide is N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC(F)F)ccc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is VTQCRQIZBAUWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3S/c24-23(25)31-17-8-11-19-20(13-26)22(28(21(19)12-17)16-2-1-3-16)14-4-6-15(7-5-14)27-32(29,30)18-9-10-18/h4-8,11-12,16,18,23,27H,1-3,9-10H2.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 457.50 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 58694406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).