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

C21H19F2N3O3S — CID 25051675

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C21H19F2N3O3S/c1-2-26-19-11-15(29-21(22)23)7-10-17(19)18(12-24)20(26)13-3-5-14(6-4-13)25-30(27,28)16-8-9-16/h3-7,10-11,16,21,25H,2,8-9H2,1H3
InChIKeyMIERESOZAAAMHJ-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.71
Rot. Bonds7

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

N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide (PubChem CID 25051675) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide
PubChem CID25051675
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C21H19F2N3O3S/c1-2-26-19-11-15(29-21(22)23)7-10-17(19)18(12-24)20(26)13-3-5-14(6-4-13)25-30(27,28)16-8-9-16/h3-7,10-11,16,21,25H,2,8-9H2,1H3
InChIKeyMIERESOZAAAMHJ-UHFFFAOYSA-N
XLogP4.71
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide (CID 25051675) is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21.
What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is MIERESOZAAAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c1-2-26-19-11-15(29-21(22)23)7-10-17(19)18(12-24)20(26)13-3-5-14(6-4-13)25-30(27,28)16-8-9-16/h3-7,10-11,16,21,25H,2,8-9H2,1H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide?
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 431.46 g/mol, XLogP of 4.71, 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-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 25051675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).