6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C21H18ClF3N4O2S — CID 46937861

IUPAC6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(Cl)c(F)cc12
InChIInChI=1S/C21H18ClF3N4O2S/c22-17-7-20-15(6-18(17)25)16(10-26)21(29(20)13-2-1-3-13)19-5-4-14(11-27-19)32(30,31)28-12(8-23)9-24/h4-7,11-13,28H,1-3,8-9H2
InChIKeyOWNWBQXOPXESHD-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.68
Rot. Bonds7

About 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46937861) has the molecular formula C21H18ClF3N4O2S and a molecular weight of 482.92 g/mol. Its IUPAC name is 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46937861
Molecular FormulaC21H18ClF3N4O2S
Molecular Weight482.92 g/mol
Exact Mass482.08
IUPAC Name6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(Cl)c(F)cc12
InChIInChI=1S/C21H18ClF3N4O2S/c22-17-7-20-15(6-18(17)25)16(10-26)21(29(20)13-2-1-3-13)19-5-4-14(11-27-19)32(30,31)28-12(8-23)9-24/h4-7,11-13,28H,1-3,8-9H2
InChIKeyOWNWBQXOPXESHD-UHFFFAOYSA-N
XLogP4.68
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25205477
CID 25205477
CID 118654354
CID 118654354
CID 118654432
CID 118654432
CID 10088284
CID 10088284
CID 17978376
CID 17978376
CID 25024924
CID 25024924
CID 25024928
CID 25024928
CID 44388950
CID 44388950
CID 44388956
CID 44388956
CID 46937631
CID 46937631
CID 46937682
CID 46937682
CID 46938198
CID 46938198

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46937861) is 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(Cl)c(F)cc12.
What is the InChIKey of 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is OWNWBQXOPXESHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O2S/c22-17-7-20-15(6-18(17)25)16(10-26)21(29(20)13-2-1-3-13)19-5-4-14(11-27-19)32(30,31)28-12(8-23)9-24/h4-7,11-13,28H,1-3,8-9H2.
What are the key properties of 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 482.92 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46937861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).