1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C20H22FN3O2S — CID 33096603

IUPAC1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F
InChIInChI=1S/C20H22FN3O2S/c1-3-24(4-2)27(25,26)18-6-8-20-16(12-18)9-10-23(20)14-17-11-15(13-22)5-7-19(17)21/h5-8,11-12H,3-4,9-10,14H2,1-2H3
InChIKeyNFOWQJKMBFVSIU-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.29
Rot. Bonds6

About 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 33096603) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID33096603
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F
InChIInChI=1S/C20H22FN3O2S/c1-3-24(4-2)27(25,26)18-6-8-20-16(12-18)9-10-23(20)14-17-11-15(13-22)5-7-19(17)21/h5-8,11-12H,3-4,9-10,14H2,1-2H3
InChIKeyNFOWQJKMBFVSIU-UHFFFAOYSA-N
XLogP3.29
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 33096603) is 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F.
What is the InChIKey of 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NFOWQJKMBFVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-3-24(4-2)27(25,26)18-6-8-20-16(12-18)9-10-23(20)14-17-11-15(13-22)5-7-19(17)21/h5-8,11-12H,3-4,9-10,14H2,1-2H3.
What are the key properties of 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 387.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 33096603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).