N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide

C19H18FN3O2S — CID 58694014

IUPACN-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21
InChIInChI=1S/C19H18FN3O2S/c1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(24,25)4-2/h5-11,22H,3-4H2,1-2H3
InChIKeyBUJMFAHLBYAMAS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide

N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide (PubChem CID 58694014) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide
PubChem CID58694014
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21
InChIInChI=1S/C19H18FN3O2S/c1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(24,25)4-2/h5-11,22H,3-4H2,1-2H3
InChIKeyBUJMFAHLBYAMAS-UHFFFAOYSA-N
XLogP4.10
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide (CID 58694014) is N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is BUJMFAHLBYAMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(24,25)4-2/h5-11,22H,3-4H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide?
N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 58694014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).