N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide

C21H23N3O3S — CID 58694505

IUPACN-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1
InChIInChI=1S/C21H23N3O3S/c1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3/h7-13,23H,4-6H2,1-3H3
InChIKeyQGUCYHBIFKHDRW-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.36
Rot. Bonds7

About N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide

N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide (PubChem CID 58694505) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide
PubChem CID58694505
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1
InChIInChI=1S/C21H23N3O3S/c1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3/h7-13,23H,4-6H2,1-3H3
InChIKeyQGUCYHBIFKHDRW-UHFFFAOYSA-N
XLogP4.36
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide (CID 58694505) is N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide is CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.
What is the InChIKey of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is QGUCYHBIFKHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3/h7-13,23H,4-6H2,1-3H3.
What are the key properties of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide?
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 58694505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).