4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide

C25H23ClN2O3S — CID 55533757

IUPAC4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CCc2ccccc21
InChIInChI=1S/C25H23ClN2O3S/c1-27(23-13-11-17-6-2-4-8-20(17)23)25(29)19-10-12-21(26)24(16-19)32(30,31)28-15-14-18-7-3-5-9-22(18)28/h2-10,12,16,23H,11,13-15H2,1H3
InChIKeyJMIHJPAYOJXUTP-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.85
Rot. Bonds4

About 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide

4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide (PubChem CID 55533757) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
PubChem CID55533757
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC Name4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CCc2ccccc21
InChIInChI=1S/C25H23ClN2O3S/c1-27(23-13-11-17-6-2-4-8-20(17)23)25(29)19-10-12-21(26)24(16-19)32(30,31)28-15-14-18-7-3-5-9-22(18)28/h2-10,12,16,23H,11,13-15H2,1H3
InChIKeyJMIHJPAYOJXUTP-UHFFFAOYSA-N
XLogP4.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide (CID 55533757) is 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CCc2ccccc21.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The InChIKey is JMIHJPAYOJXUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-27(23-13-11-17-6-2-4-8-20(17)23)25(29)19-10-12-21(26)24(16-19)32(30,31)28-15-14-18-7-3-5-9-22(18)28/h2-10,12,16,23H,11,13-15H2,1H3.
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide has a molecular weight of 466.99 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide is sourced from PubChem (CID 55533757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).