1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C22H19FN4O3S — CID 170593364

IUPAC1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4nccnc4F)cc3C1)CC2
InChIInChI=1S/C22H19FN4O3S/c23-21-20(25-6-7-26-21)15-2-1-14-9-17(11-16(14)10-15)22(28)27-8-5-13-3-4-18(12-19(13)27)31(24,29)30/h1-4,6-7,10,12,17H,5,8-9,11H2,(H2,24,29,30)
InChIKeyPPTUXOQQKWOSNC-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.23
Rot. Bonds3

About 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593364) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170593364
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4nccnc4F)cc3C1)CC2
InChIInChI=1S/C22H19FN4O3S/c23-21-20(25-6-7-26-21)15-2-1-14-9-17(11-16(14)10-15)22(28)27-8-5-13-3-4-18(12-19(13)27)31(24,29)30/h1-4,6-7,10,12,17H,5,8-9,11H2,(H2,24,29,30)
InChIKeyPPTUXOQQKWOSNC-UHFFFAOYSA-N
XLogP2.23
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170593364) is 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4nccnc4F)cc3C1)CC2.
What is the InChIKey of 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is PPTUXOQQKWOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c23-21-20(25-6-7-26-21)15-2-1-14-9-17(11-16(14)10-15)22(28)27-8-5-13-3-4-18(12-19(13)27)31(24,29)30/h1-4,6-7,10,12,17H,5,8-9,11H2,(H2,24,29,30).
What are the key properties of 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 438.48 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoropyrazin-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).