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

C17H20FN3O3S — CID 113084521

IUPACN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H20FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(3,4)14-8-19-15-7-12(18)5-6-13(14)15/h5-8,19-20H,9H2,1-4H3
InChIKeyFLGUOFVZNMXQEN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.17
Rot. Bonds5

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

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113084521) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113084521
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H20FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(3,4)14-8-19-15-7-12(18)5-6-13(14)15/h5-8,19-20H,9H2,1-4H3
InChIKeyFLGUOFVZNMXQEN-UHFFFAOYSA-N
XLogP3.17
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11234629
CID 11234629
CID 24983174
CID 24983174
CID 9799352
CID 9799352
CID 44627719
CID 44627719
CID 5307124
CID 5307124
CID 139417772
CID 139417772
CID 49655624
CID 49655624
CID 135883352
CID 135883352
CID 136167882
CID 136167882
CID 145970470
CID 145970470
CID 110197570
CID 110197570
CID 9849124
CID 9849124

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113084521) is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FLGUOFVZNMXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(3,4)14-8-19-15-7-12(18)5-6-13(14)15/h5-8,19-20H,9H2,1-4H3.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.43 g/mol, XLogP of 3.17, 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)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113084521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).