N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C16H16FN3O3S — CID 38830132

IUPACN-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1cc(F)cc2cccnc12
InChIInChI=1S/C16H16FN3O3S/c1-10-16(11(2)23-19-10)24(21,22)20(3)9-13-8-14(17)7-12-5-4-6-18-15(12)13/h4-8H,9H2,1-3H3
InChIKeyZJWYWIPSCSRTSU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.80
Rot. Bonds4

About N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 38830132) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID38830132
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1cc(F)cc2cccnc12
InChIInChI=1S/C16H16FN3O3S/c1-10-16(11(2)23-19-10)24(21,22)20(3)9-13-8-14(17)7-12-5-4-6-18-15(12)13/h4-8H,9H2,1-3H3
InChIKeyZJWYWIPSCSRTSU-UHFFFAOYSA-N
XLogP2.80
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 38830132) is N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)Cc1cc(F)cc2cccnc12.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZJWYWIPSCSRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-10-16(11(2)23-19-10)24(21,22)20(3)9-13-8-14(17)7-12-5-4-6-18-15(12)13/h4-8H,9H2,1-3H3.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 38830132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).