4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide

C26H27ClN2O3S — CID 135309964

IUPAC4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)C1(CCN2CCCC2)CCc2c(Cl)cccc21
InChIInChI=1S/C26H27ClN2O3S/c27-23-11-6-10-22-21(23)13-14-26(22,15-18-29-16-3-4-17-29)25(30)28-33(31,32)24-12-5-8-19-7-1-2-9-20(19)24/h1-2,5-12H,3-4,13-18H2,(H,28,30)
InChIKeyLEUROAUUJRAVGJ-UHFFFAOYSA-N
MW483.03 g/mol
LogP4.67
Rot. Bonds6

About 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide

4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide (PubChem CID 135309964) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide
PubChem CID135309964
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC Name4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)C1(CCN2CCCC2)CCc2c(Cl)cccc21
InChIInChI=1S/C26H27ClN2O3S/c27-23-11-6-10-22-21(23)13-14-26(22,15-18-29-16-3-4-17-29)25(30)28-33(31,32)24-12-5-8-19-7-1-2-9-20(19)24/h1-2,5-12H,3-4,13-18H2,(H,28,30)
InChIKeyLEUROAUUJRAVGJ-UHFFFAOYSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.03
LogP ≤ 54.67
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-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide (CID 135309964) is 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide is O=C(NS(=O)(=O)c1cccc2ccccc12)C1(CCN2CCCC2)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide?
The InChIKey is LEUROAUUJRAVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c27-23-11-6-10-22-21(23)13-14-26(22,15-18-29-16-3-4-17-29)25(30)28-33(31,32)24-12-5-8-19-7-1-2-9-20(19)24/h1-2,5-12H,3-4,13-18H2,(H,28,30).
What are the key properties of 4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide?
4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide has a molecular weight of 483.03 g/mol, XLogP of 4.67, 6 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-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).