N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H16FN3O3S — CID 113083785

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16FN3O3S/c1-9-15(10(2)22-19-9)23(20,21)18-6-5-11-8-17-14-7-12(16)3-4-13(11)14/h3-4,7-8,17-18H,5-6H2,1-2H3
InChIKeyKXIVMRYGDGAPLK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113083785) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113083785
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16FN3O3S/c1-9-15(10(2)22-19-9)23(20,21)18-6-5-11-8-17-14-7-12(16)3-4-13(11)14/h3-4,7-8,17-18H,5-6H2,1-2H3
InChIKeyKXIVMRYGDGAPLK-UHFFFAOYSA-N
XLogP2.43
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113083785) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KXIVMRYGDGAPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-9-15(10(2)22-19-9)23(20,21)18-6-5-11-8-17-14-7-12(16)3-4-13(11)14/h3-4,7-8,17-18H,5-6H2,1-2H3.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 337.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113083785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).