6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C23H22F4N4O3S — CID 46937860

IUPAC6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(OC(F)F)ccc12
InChIInChI=1S/C23H22F4N4O3S/c24-10-14(11-25)30-35(32,33)17-6-8-20(29-13-17)22-19(12-28)18-7-5-16(34-23(26)27)9-21(18)31(22)15-3-1-2-4-15/h5-9,13-15,23,30H,1-4,10-11H2
InChIKeyALZFLVROPWORHJ-UHFFFAOYSA-N
MW510.51 g/mol
LogP4.88
Rot. Bonds9

About 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46937860) has the molecular formula C23H22F4N4O3S and a molecular weight of 510.51 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46937860
Molecular FormulaC23H22F4N4O3S
Molecular Weight510.51 g/mol
Exact Mass510.13
IUPAC Name6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(OC(F)F)ccc12
InChIInChI=1S/C23H22F4N4O3S/c24-10-14(11-25)30-35(32,33)17-6-8-20(29-13-17)22-19(12-28)18-7-5-16(34-23(26)27)9-21(18)31(22)15-3-1-2-4-15/h5-9,13-15,23,30H,1-4,10-11H2
InChIKeyALZFLVROPWORHJ-UHFFFAOYSA-N
XLogP4.88
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46937860) is 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(OC(F)F)ccc12.
What is the InChIKey of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is ALZFLVROPWORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3S/c24-10-14(11-25)30-35(32,33)17-6-8-20(29-13-17)22-19(12-28)18-7-5-16(34-23(26)27)9-21(18)31(22)15-3-1-2-4-15/h5-9,13-15,23,30H,1-4,10-11H2.
What are the key properties of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 510.51 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46937860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).