N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide

C20H18FN3O3S — CID 56874111

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1
InChIInChI=1S/C20H18FN3O3S/c1-12-16-9-14(10-23-28(25,26)19-11-22-27-13(19)2)7-8-18(16)24-20(12)15-5-3-4-6-17(15)21/h3-9,11,23-24H,10H2,1-2H3
InChIKeyQRWGEZCYWZDUBA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.06
Rot. Bonds5

About N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 56874111) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID56874111
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1
InChIInChI=1S/C20H18FN3O3S/c1-12-16-9-14(10-23-28(25,26)19-11-22-27-13(19)2)7-8-18(16)24-20(12)15-5-3-4-6-17(15)21/h3-9,11,23-24H,10H2,1-2H3
InChIKeyQRWGEZCYWZDUBA-UHFFFAOYSA-N
XLogP4.06
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide (CID 56874111) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide is Cc1oncc1S(=O)(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QRWGEZCYWZDUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-12-16-9-14(10-23-28(25,26)19-11-22-27-13(19)2)7-8-18(16)24-20(12)15-5-3-4-6-17(15)21/h3-9,11,23-24H,10H2,1-2H3.
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 399.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 56874111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).