N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide

C18H17N3O2S — CID 24739836

IUPACN-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide
SMILESCCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C18H17N3O2S/c1-3-21-12-17(14-6-4-13(11-19)5-7-14)16-9-8-15(10-18(16)21)20-24(2,22)23/h4-10,12,20H,3H2,1-2H3
InChIKeyLSQKEQHYMWDEPS-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.57
Rot. Bonds4

About N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide

N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide (PubChem CID 24739836) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide
PubChem CID24739836
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide
SMILESCCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C18H17N3O2S/c1-3-21-12-17(14-6-4-13(11-19)5-7-14)16-9-8-15(10-18(16)21)20-24(2,22)23/h4-10,12,20H,3H2,1-2H3
InChIKeyLSQKEQHYMWDEPS-UHFFFAOYSA-N
XLogP3.57
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide (CID 24739836) is N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide is CCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide?
The InChIKey is LSQKEQHYMWDEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-3-21-12-17(14-6-4-13(11-19)5-7-14)16-9-8-15(10-18(16)21)20-24(2,22)23/h4-10,12,20H,3H2,1-2H3.
What are the key properties of N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide?
N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)-1-ethylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 24739836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).