2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone

C19H19FN2O4S — CID 2531136

IUPAC2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCc2ccccc21
InChIInChI=1S/C19H19FN2O4S/c20-17-6-5-15(27(24,25)21-9-11-26-12-10-21)13-16(17)19(23)22-8-7-14-3-1-2-4-18(14)22/h1-6,13H,7-12H2
InChIKeyIVCJOPINFNEGRZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.05
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone

2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 2531136) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID2531136
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCc2ccccc21
InChIInChI=1S/C19H19FN2O4S/c20-17-6-5-15(27(24,25)21-9-11-26-12-10-21)13-16(17)19(23)22-8-7-14-3-1-2-4-18(14)22/h1-6,13H,7-12H2
InChIKeyIVCJOPINFNEGRZ-UHFFFAOYSA-N
XLogP2.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2352857
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530525
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 31886530
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
CID 55612788
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone (CID 2531136) is 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is IVCJOPINFNEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-17-6-5-15(27(24,25)21-9-11-26-12-10-21)13-16(17)19(23)22-8-7-14-3-1-2-4-18(14)22/h1-6,13H,7-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 390.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2531136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).