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

C24H19F3N2O3S — CID 170335972

IUPAC1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3cc(F)ccc3F)cc2C1
InChIInChI=1S/C24H19F3N2O3S/c25-18-3-4-20(26)19(11-18)14-2-1-13-7-17(9-16(13)8-14)24(30)29-6-5-15-10-21(27)23(12-22(15)29)33(28,31)32/h1-4,8,10-12,17H,5-7,9H2,(H2,28,31,32)/t17-/m1/s1
InChIKeyUBKUALHVZSCRMO-QGZVFWFLSA-N
MW472.49 g/mol
LogP3.72
Rot. Bonds3

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

1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335972) has the molecular formula C24H19F3N2O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
PubChem CID170335972
Molecular FormulaC24H19F3N2O3S
Molecular Weight472.49 g/mol
Exact Mass472.11
IUPAC Name1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3cc(F)ccc3F)cc2C1
InChIInChI=1S/C24H19F3N2O3S/c25-18-3-4-20(26)19(11-18)14-2-1-13-7-17(9-16(13)8-14)24(30)29-6-5-15-10-21(27)23(12-22(15)29)33(28,31)32/h1-4,8,10-12,17H,5-7,9H2,(H2,28,31,32)/t17-/m1/s1
InChIKeyUBKUALHVZSCRMO-QGZVFWFLSA-N
XLogP3.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide (CID 170335972) is 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(2R)-5-(2,5-difluorophenyl)-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(-c3cc(F)ccc3F)cc2C1.
What is the InChIKey of 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
The InChIKey is UBKUALHVZSCRMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H19F3N2O3S/c25-18-3-4-20(26)19(11-18)14-2-1-13-7-17(9-16(13)8-14)24(30)29-6-5-15-10-21(27)23(12-22(15)29)33(28,31)32/h1-4,8,10-12,17H,5-7,9H2,(H2,28,31,32)/t17-/m1/s1.
What are the key properties of 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide?
1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide has a molecular weight of 472.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).