N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide

C20H23FN2O3S — CID 10157215

IUPACN-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@@](C)(F)c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1
InChIInChI=1S/C20H23FN2O3S/c1-13(2)27(25,26)22-12-20(3,21)17-8-6-14(7-9-17)15-4-5-16-11-19(24)23-18(16)10-15/h4-10,13,22H,11-12H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyIMWPJWFSAYYDMK-HXUWFJFHSA-N
MW390.48 g/mol
LogP3.36
Rot. Bonds6

About N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide

N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 10157215) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide
PubChem CID10157215
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@@](C)(F)c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1
InChIInChI=1S/C20H23FN2O3S/c1-13(2)27(25,26)22-12-20(3,21)17-8-6-14(7-9-17)15-4-5-16-11-19(24)23-18(16)10-15/h4-10,13,22H,11-12H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyIMWPJWFSAYYDMK-HXUWFJFHSA-N
XLogP3.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[2-fluoro-2-[4-(4-isocyanophenyl)phenyl]propyl]propane-2-sulfonamide
CID 23567058
6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
CID 155502531
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide
CID 141028528
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
N-(2-oxo-1,3-dihydroindol-5-yl)propane-2-sulfonamide
CID 40805053
6-(3,5-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 146673871
N-[3-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]propane-2-sulfonamide
CID 172818265
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one
CID 162059497
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
CID 115194235
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide (CID 10157215) is N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC[C@@](C)(F)c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1.
What is the InChIKey of N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is IMWPJWFSAYYDMK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-13(2)27(25,26)22-12-20(3,21)17-8-6-14(7-9-17)15-4-5-16-11-19(24)23-18(16)10-15/h4-10,13,22H,11-12H2,1-3H3,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide?
N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10157215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).