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

C22H22F2N4O3S — CID 46940521

IUPAC6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)nc1
InChIInChI=1S/C22H22F2N4O3S/c1-13(2)27-32(29,30)16-6-8-19(26-11-16)21-18(10-25)17-7-5-15(31-22(23)24)9-20(17)28(21)12-14-3-4-14/h5-9,11,13-14,22,27H,3-4,12H2,1-2H3
InChIKeyYJOQMGPOSAGVRI-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.27
Rot. Bonds8

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

6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46940521) has the molecular formula C22H22F2N4O3S and a molecular weight of 460.51 g/mol. Its IUPAC name is 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46940521
Molecular FormulaC22H22F2N4O3S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)nc1
InChIInChI=1S/C22H22F2N4O3S/c1-13(2)27-32(29,30)16-6-8-19(26-11-16)21-18(10-25)17-7-5-15(31-22(23)24)9-20(17)28(21)12-14-3-4-14/h5-9,11,13-14,22,27H,3-4,12H2,1-2H3
InChIKeyYJOQMGPOSAGVRI-UHFFFAOYSA-N
XLogP4.27
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
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
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-2-sulfonamide
CID 25051838
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[2-fluoro-1-(fluoromethyl)ethyl]pyridine-3-sulfonamide
CID 46916837
6-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]-N-isopropyl-pyridine-3-sulfonamide
CID 46916981
6-[3-cyano-1-cyclobutyl-6-(trifluoromethoxy)indol-2-yl]-N-isopropyl-pyridine-3-sulfonamide
CID 46937684
5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-isopropyl-pyridine-2-sulfonamide
CID 46937802

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 46940521) is 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)nc1.
What is the InChIKey of 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is YJOQMGPOSAGVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3S/c1-13(2)27-32(29,30)16-6-8-19(26-11-16)21-18(10-25)17-7-5-15(31-22(23)24)9-20(17)28(21)12-14-3-4-14/h5-9,11,13-14,22,27H,3-4,12H2,1-2H3.
What are the key properties of 6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 460.51 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-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46940521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).