6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide

C21H22F2N4O3S — CID 46938199

IUPAC6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCCCn1c(-c2ccc(S(=O)(=O)NC(C)C)cn2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C21H22F2N4O3S/c1-4-9-27-19-10-14(30-21(22)23)5-7-16(19)17(11-24)20(27)18-8-6-15(12-25-18)31(28,29)26-13(2)3/h5-8,10,12-13,21,26H,4,9H2,1-3H3
InChIKeyQEYHYGJJCDSIPV-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.27
Rot. Bonds8

About 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide

6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46938199) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46938199
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCCCn1c(-c2ccc(S(=O)(=O)NC(C)C)cn2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C21H22F2N4O3S/c1-4-9-27-19-10-14(30-21(22)23)5-7-16(19)17(11-24)20(27)18-8-6-15(12-25-18)31(28,29)26-13(2)3/h5-8,10,12-13,21,26H,4,9H2,1-3H3
InChIKeyQEYHYGJJCDSIPV-UHFFFAOYSA-N
XLogP4.27
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 46938199) is 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is CCCn1c(-c2ccc(S(=O)(=O)NC(C)C)cn2)c(C#N)c2ccc(OC(F)F)cc21.
What is the InChIKey of 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is QEYHYGJJCDSIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-4-9-27-19-10-14(30-21(22)23)5-7-16(19)17(11-24)20(27)18-8-6-15(12-25-18)31(28,29)26-13(2)3/h5-8,10,12-13,21,26H,4,9H2,1-3H3.
What are the key properties of 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 448.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).