N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide

C20H20FN3O3S — CID 25051496

IUPACN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)c(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H20FN3O3S/c1-4-24-19-11-14(27-3)7-8-15(19)16(12-22)20(24)13-6-9-18(17(21)10-13)23-28(25,26)5-2/h6-11,23H,4-5H2,1-3H3
InChIKeyJKPHJYSJYHTVPQ-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.11
Rot. Bonds6

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide (PubChem CID 25051496) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
PubChem CID25051496
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)c(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H20FN3O3S/c1-4-24-19-11-14(27-3)7-8-15(19)16(12-22)20(24)13-6-9-18(17(21)10-13)23-28(25,26)5-2/h6-11,23H,4-5H2,1-3H3
InChIKeyJKPHJYSJYHTVPQ-UHFFFAOYSA-N
XLogP4.11
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.11
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-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide (CID 25051496) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)CC)c(F)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide?
The InChIKey is JKPHJYSJYHTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-4-24-19-11-14(27-3)7-8-15(19)16(12-22)20(24)13-6-9-18(17(21)10-13)23-28(25,26)5-2/h6-11,23H,4-5H2,1-3H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide?
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide has a molecular weight of 401.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide is sourced from PubChem (CID 25051496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).