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

C20H19F2N3O3S — CID 59426395

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C20H19F2N3O3S/c1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2/h5-11,20,24H,3-4H2,1-2H3
InChIKeyUVQKBXUDKRXBSC-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.56
Rot. Bonds7

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

N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide (PubChem CID 59426395) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
PubChem CID59426395
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C20H19F2N3O3S/c1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2/h5-11,20,24H,3-4H2,1-2H3
InChIKeyUVQKBXUDKRXBSC-UHFFFAOYSA-N
XLogP4.56
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.56
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]ethanesulfonamide?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide (CID 59426395) is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)CC)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]ethanesulfonamide?
The InChIKey is UVQKBXUDKRXBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2/h5-11,20,24H,3-4H2,1-2H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide?
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 419.45 g/mol, XLogP of 4.56, 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]ethanesulfonamide is sourced from PubChem (CID 59426395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).