5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide

C22H22F2N4O3S — CID 46937802

IUPAC5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cn1
InChIInChI=1S/C22H22F2N4O3S/c1-13(2)27-32(29,30)20-8-5-15(11-26-20)21-18(10-25)17-7-6-16(31-22(23)24)9-19(17)28(21)12-14-3-4-14/h5-9,11,13-14,22,27H,3-4,12H2,1-2H3
InChIKeyQZKRMZPHCBVZCQ-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.27
Rot. Bonds8

About 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide

5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide (PubChem CID 46937802) has the molecular formula C22H22F2N4O3S and a molecular weight of 460.51 g/mol. Its IUPAC name is 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide
PubChem CID46937802
Molecular FormulaC22H22F2N4O3S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cn1
InChIInChI=1S/C22H22F2N4O3S/c1-13(2)27-32(29,30)20-8-5-15(11-26-20)21-18(10-25)17-7-6-16(31-22(23)24)9-19(17)28(21)12-14-3-4-14/h5-9,11,13-14,22,27H,3-4,12H2,1-2H3
InChIKeyQZKRMZPHCBVZCQ-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 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-isopropyl-pyridine-3-sulfonamide
CID 46937862
6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-isopropyl-pyridine-3-sulfonamide
CID 46937863

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide (CID 46937802) is 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cn1.
What is the InChIKey of 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is QZKRMZPHCBVZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3S/c1-13(2)27-32(29,30)20-8-5-15(11-26-20)21-18(10-25)17-7-6-16(31-22(23)24)9-19(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 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide?
5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-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 5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 46937802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).