4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide

C25H24ClNO4S — CID 135309749

IUPAC4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)C1(CC2CCOC2)CCc2c(Cl)cccc21
InChIInChI=1S/C25H24ClNO4S/c26-22-9-4-8-21-20(22)11-13-25(21,15-17-12-14-31-16-17)24(28)27-32(29,30)23-10-3-6-18-5-1-2-7-19(18)23/h1-10,17H,11-16H2,(H,27,28)
InChIKeyDQBJVCFJMUNTCX-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.61
Rot. Bonds5

About 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide

4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide (PubChem CID 135309749) has the molecular formula C25H24ClNO4S and a molecular weight of 469.99 g/mol. Its IUPAC name is 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide
PubChem CID135309749
Molecular FormulaC25H24ClNO4S
Molecular Weight469.99 g/mol
Exact Mass469.11
IUPAC Name4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)C1(CC2CCOC2)CCc2c(Cl)cccc21
InChIInChI=1S/C25H24ClNO4S/c26-22-9-4-8-21-20(22)11-13-25(21,15-17-12-14-31-16-17)24(28)27-32(29,30)23-10-3-6-18-5-1-2-7-19(18)23/h1-10,17H,11-16H2,(H,27,28)
InChIKeyDQBJVCFJMUNTCX-UHFFFAOYSA-N
XLogP4.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide (CID 135309749) is 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide is O=C(NS(=O)(=O)c1cccc2ccccc12)C1(CC2CCOC2)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide?
The InChIKey is DQBJVCFJMUNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4S/c26-22-9-4-8-21-20(22)11-13-25(21,15-17-12-14-31-16-17)24(28)27-32(29,30)23-10-3-6-18-5-1-2-7-19(18)23/h1-10,17H,11-16H2,(H,27,28).
What are the key properties of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide?
4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).