1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide

C18H16BrFN2O3S — CID 170593395

IUPAC1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(Br)cc2C1
InChIInChI=1S/C18H16BrFN2O3S/c19-14-2-1-10-5-13(6-12(10)7-14)18(23)22-4-3-11-8-15(20)17(9-16(11)22)26(21,24)25/h1-2,7-9,13H,3-6H2,(H2,21,24,25)/t13-/m1/s1
InChIKeyAXOSWJNTMOOVGL-CYBMUJFWSA-N
MW439.31 g/mol
LogP2.54
Rot. Bonds2

About 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide

1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593395) has the molecular formula C18H16BrFN2O3S and a molecular weight of 439.31 g/mol. Its IUPAC name is 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
PubChem CID170593395
Molecular FormulaC18H16BrFN2O3S
Molecular Weight439.31 g/mol
Exact Mass438.00
IUPAC Name1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(Br)cc2C1
InChIInChI=1S/C18H16BrFN2O3S/c19-14-2-1-10-5-13(6-12(10)7-14)18(23)22-4-3-11-8-15(20)17(9-16(11)22)26(21,24)25/h1-2,7-9,13H,3-6H2,(H2,21,24,25)/t13-/m1/s1
InChIKeyAXOSWJNTMOOVGL-CYBMUJFWSA-N
XLogP2.54
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide (CID 170593395) is 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(Br)cc2C1.
What is the InChIKey of 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
The InChIKey is AXOSWJNTMOOVGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16BrFN2O3S/c19-14-2-1-10-5-13(6-12(10)7-14)18(23)22-4-3-11-8-15(20)17(9-16(11)22)26(21,24)25/h1-2,7-9,13H,3-6H2,(H2,21,24,25)/t13-/m1/s1.
What are the key properties of 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide has a molecular weight of 439.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).