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

C21H21F2N3O3S — CID 25051674

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC)cc1
InChIInChI=1S/C21H21F2N3O3S/c1-3-11-30(27,28)25-15-7-5-14(6-8-15)20-18(13-24)17-10-9-16(29-21(22)23)12-19(17)26(20)4-2/h5-10,12,21,25H,3-4,11H2,1-2H3
InChIKeyBTCXBKNHZOZFES-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.95
Rot. Bonds8

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

N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide (PubChem CID 25051674) 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-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide
PubChem CID25051674
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC)cc1
InChIInChI=1S/C21H21F2N3O3S/c1-3-11-30(27,28)25-15-7-5-14(6-8-15)20-18(13-24)17-10-9-16(29-21(22)23)12-19(17)26(20)4-2/h5-10,12,21,25H,3-4,11H2,1-2H3
InChIKeyBTCXBKNHZOZFES-UHFFFAOYSA-N
XLogP4.95
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-1-sulfonamide?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide (CID 25051674) is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC)cc1.
What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide?
The InChIKey is BTCXBKNHZOZFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-3-11-30(27,28)25-15-7-5-14(6-8-15)20-18(13-24)17-10-9-16(29-21(22)23)12-19(17)26(20)4-2/h5-10,12,21,25H,3-4,11H2,1-2H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide?
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide has a molecular weight of 433.48 g/mol, XLogP of 4.95, 8 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-1-sulfonamide is sourced from PubChem (CID 25051674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).