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

C21H21F2N3O3S — CID 25051838

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C21H21F2N3O3S/c1-4-26-19-11-16(29-21(22)23)9-10-17(19)18(12-24)20(26)14-5-7-15(8-6-14)25-30(27,28)13(2)3/h5-11,13,21,25H,4H2,1-3H3
InChIKeyGEOUOFNUERJWKK-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.95
Rot. Bonds7

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

N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide (PubChem CID 25051838) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
PubChem CID25051838
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C21H21F2N3O3S/c1-4-26-19-11-16(29-21(22)23)9-10-17(19)18(12-24)20(26)14-5-7-15(8-6-14)25-30(27,28)13(2)3/h5-11,13,21,25H,4H2,1-3H3
InChIKeyGEOUOFNUERJWKK-UHFFFAOYSA-N
XLogP4.95
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.95
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]propane-2-sulfonamide?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide (CID 25051838) is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide is CCn1c(-c2ccc(NS(=O)(=O)C(C)C)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]propane-2-sulfonamide?
The InChIKey is GEOUOFNUERJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-4-26-19-11-16(29-21(22)23)9-10-17(19)18(12-24)20(26)14-5-7-15(8-6-14)25-30(27,28)13(2)3/h5-11,13,21,25H,4H2,1-3H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide?
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide has a molecular weight of 433.48 g/mol, XLogP of 4.95, 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]propane-2-sulfonamide is sourced from PubChem (CID 25051838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).