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

C17H20FN3O3S — CID 113084258

IUPACN-[2-(5-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]c2ccc(F)cc12
InChIInChI=1S/C17H20FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(3,4)14-8-19-15-6-5-12(18)7-13(14)15/h5-8,19-20H,9H2,1-4H3
InChIKeyJXPAWJNDHDWNGQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.17
Rot. Bonds5

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

N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113084258) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113084258
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[2-(5-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]c2ccc(F)cc12
InChIInChI=1S/C17H20FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(3,4)14-8-19-15-6-5-12(18)7-13(14)15/h5-8,19-20H,9H2,1-4H3
InChIKeyJXPAWJNDHDWNGQ-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113084258) is N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(5-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]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JXPAWJNDHDWNGQ-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)14-8-19-15-6-5-12(18)7-13(14)15/h5-8,19-20H,9H2,1-4H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(5-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-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113084258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).