4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide

C20H20ClN3O3S — CID 135309902

IUPAC4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc3cnn(C)c23)CCc2c(Cl)cccc21
InChIInChI=1S/C20H20ClN3O3S/c1-3-20(11-10-14-15(20)7-5-8-16(14)21)19(25)23-28(26,27)17-9-4-6-13-12-22-24(2)18(13)17/h4-9,12H,3,10-11H2,1-2H3,(H,23,25)
InChIKeyHVDOBMILTDPVSW-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide

4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309902) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309902
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc3cnn(C)c23)CCc2c(Cl)cccc21
InChIInChI=1S/C20H20ClN3O3S/c1-3-20(11-10-14-15(20)7-5-8-16(14)21)19(25)23-28(26,27)17-9-4-6-13-12-22-24(2)18(13)17/h4-9,12H,3,10-11H2,1-2H3,(H,23,25)
InChIKeyHVDOBMILTDPVSW-UHFFFAOYSA-N
XLogP3.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309902) is 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2cccc3cnn(C)c23)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is HVDOBMILTDPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-3-20(11-10-14-15(20)7-5-8-16(14)21)19(25)23-28(26,27)17-9-4-6-13-12-22-24(2)18(13)17/h4-9,12H,3,10-11H2,1-2H3,(H,23,25).
What are the key properties of 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).