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

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

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Related Compounds

4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983
6-methoxy-1-(phenylsulfonyl)-1H-indole
CID 852507
4-(6-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413495
N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71450107
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-(pyridin-2-ylmethyl)ethanamine
CID 164611660
N'-[(E)-(6-methoxy-1H-indol-3-yl)methylidene]-4-methylbenzenesulfonohydrazide
CID 135651464
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 11625428
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide
CID 11682432
N-[4-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051493
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-1-sulfonamide
CID 25051674
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051675

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).