6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C22H22F2N4O2S — CID 46940868

IUPAC6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(CC3CC3)c2c1
InChIInChI=1S/C22H22F2N4O2S/c1-14-2-6-18-19(11-25)22(28(21(18)8-14)13-15-3-4-15)20-7-5-17(12-26-20)31(29,30)27-16(9-23)10-24/h2,5-8,12,15-16,27H,3-4,9-10,13H2,1H3
InChIKeyRNQBTIADTUBBRB-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.88
Rot. Bonds8

About 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46940868) has the molecular formula C22H22F2N4O2S and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46940868
Molecular FormulaC22H22F2N4O2S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Name6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(CC3CC3)c2c1
InChIInChI=1S/C22H22F2N4O2S/c1-14-2-6-18-19(11-25)22(28(21(18)8-14)13-15-3-4-15)20-7-5-17(12-26-20)31(29,30)27-16(9-23)10-24/h2,5-8,12,15-16,27H,3-4,9-10,13H2,1H3
InChIKeyRNQBTIADTUBBRB-UHFFFAOYSA-N
XLogP3.88
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46940868) is 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(CC3CC3)c2c1.
What is the InChIKey of 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is RNQBTIADTUBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2S/c1-14-2-6-18-19(11-25)22(28(21(18)8-14)13-15-3-4-15)20-7-5-17(12-26-20)31(29,30)27-16(9-23)10-24/h2,5-8,12,15-16,27H,3-4,9-10,13H2,1H3.
What are the key properties of 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 444.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46940868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).