N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide

C22H22FN3O3S — CID 58694151

IUPACN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C22H22FN3O3S/c1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18/h3-7,10,13,18,25H,2,8-9,11-12H2,1H3
InChIKeyBPQOYDVPTNFAEG-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.45
Rot. Bonds8

About N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide

N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide (PubChem CID 58694151) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
PubChem CID58694151
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC NameN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C22H22FN3O3S/c1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18/h3-7,10,13,18,25H,2,8-9,11-12H2,1H3
InChIKeyBPQOYDVPTNFAEG-UHFFFAOYSA-N
XLogP4.45
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.45
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-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide (CID 58694151) is N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.
What is the InChIKey of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is BPQOYDVPTNFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18/h3-7,10,13,18,25H,2,8-9,11-12H2,1H3.
What are the key properties of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide?
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 427.50 g/mol, XLogP of 4.45, 8 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-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 58694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).