(2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

C24H20F2N2O4S — CID 170335995

IUPAC(2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2ccc(S(N)(=O)=O)cc2N1C(=O)[C@H]1Cc2cc(-c3cc(F)ccc3F)ccc2O1
InChIInChI=1S/C24H20F2N2O4S/c1-13-8-15-2-5-18(33(27,30)31)12-21(15)28(13)24(29)23-10-16-9-14(3-7-22(16)32-23)19-11-17(25)4-6-20(19)26/h2-7,9,11-13,23H,8,10H2,1H3,(H2,27,30,31)/t13-,23-/m1/s1
InChIKeyJTYFAJLROGOXKY-JCQPUDPBSA-N
MW470.50 g/mol
LogP3.56
Rot. Bonds3

About (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

(2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335995) has the molecular formula C24H20F2N2O4S and a molecular weight of 470.50 g/mol. Its IUPAC name is (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name(2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID170335995
Molecular FormulaC24H20F2N2O4S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name(2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2ccc(S(N)(=O)=O)cc2N1C(=O)[C@H]1Cc2cc(-c3cc(F)ccc3F)ccc2O1
InChIInChI=1S/C24H20F2N2O4S/c1-13-8-15-2-5-18(33(27,30)31)12-21(15)28(13)24(29)23-10-16-9-14(3-7-22(16)32-23)19-11-17(25)4-6-20(19)26/h2-7,9,11-13,23H,8,10H2,1H3,(H2,27,30,31)/t13-,23-/m1/s1
InChIKeyJTYFAJLROGOXKY-JCQPUDPBSA-N
XLogP3.56
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide (CID 170335995) is (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide is C[C@@H]1Cc2ccc(S(N)(=O)=O)cc2N1C(=O)[C@H]1Cc2cc(-c3cc(F)ccc3F)ccc2O1.
What is the InChIKey of (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is JTYFAJLROGOXKY-JCQPUDPBSA-N. The full InChI is InChI=1S/C24H20F2N2O4S/c1-13-8-15-2-5-18(33(27,30)31)12-21(15)28(13)24(29)23-10-16-9-14(3-7-22(16)32-23)19-11-17(25)4-6-20(19)26/h2-7,9,11-13,23H,8,10H2,1H3,(H2,27,30,31)/t13-,23-/m1/s1.
What are the key properties of (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
(2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 470.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-carbonyl]-2-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).