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

C22H24FN3O3S — CID 25049868

IUPACN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C22H24FN3O3S/c1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(2)3/h5-10,13,15,25H,4,11-12H2,1-3H3
InChIKeyJZTNUFZFLCONHY-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.70
Rot. Bonds8

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

N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide (PubChem CID 25049868) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
PubChem CID25049868
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC NameN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C22H24FN3O3S/c1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(2)3/h5-10,13,15,25H,4,11-12H2,1-3H3
InChIKeyJZTNUFZFLCONHY-UHFFFAOYSA-N
XLogP4.70
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.70
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]propane-2-sulfonamide?
The IUPAC name of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide (CID 25049868) is N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide is CCn1c(-c2ccc(NS(=O)(=O)C(C)C)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]propane-2-sulfonamide?
The InChIKey is JZTNUFZFLCONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(2)3/h5-10,13,15,25H,4,11-12H2,1-3H3.
What are the key properties of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide?
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide has a molecular weight of 429.52 g/mol, XLogP of 4.70, 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]propane-2-sulfonamide is sourced from PubChem (CID 25049868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).