[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

C23H19ClN2O3S — CID 2083506

IUPAC[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2ccccc21
InChIInChI=1S/C23H19ClN2O3S/c24-19-10-9-18(23(27)25-13-11-16-5-1-3-7-20(16)25)15-22(19)30(28,29)26-14-12-17-6-2-4-8-21(17)26/h1-10,15H,11-14H2
InChIKeyCSFVXRAZJMVHSR-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.29
Rot. Bonds3

About [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 2083506) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID2083506
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2ccccc21
InChIInChI=1S/C23H19ClN2O3S/c24-19-10-9-18(23(27)25-13-11-16-5-1-3-7-20(16)25)15-22(19)30(28,29)26-14-12-17-6-2-4-8-21(17)26/h1-10,15H,11-14H2
InChIKeyCSFVXRAZJMVHSR-UHFFFAOYSA-N
XLogP4.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24530655
naphthalen-2-yl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4599470
[(2R)-3-oxobutan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 9274404
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55428331
[(2S)-1-amino-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605283
2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 51147451
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 93274371
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 55498688
(2-bromo-3-pyridinyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 60581027
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605213

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 2083506) is [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2ccccc21.
What is the InChIKey of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is CSFVXRAZJMVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-19-10-9-18(23(27)25-13-11-16-5-1-3-7-20(16)25)15-22(19)30(28,29)26-14-12-17-6-2-4-8-21(17)26/h1-10,15H,11-14H2.
What are the key properties of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 438.94 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2083506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).