N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

C18H15FN4O3S — CID 71079320

IUPACN-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4ccc(F)cc4[nH]3)o2)c1
InChIInChI=1S/C18H15FN4O3S/c1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-7-11-5-6-12(19)8-15(11)22-16/h2-10,22-23H,1H3,(H,20,21)
InChIKeyXASJDURTZFWATM-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.08
Rot. Bonds5

About N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 71079320) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
PubChem CID71079320
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC NameN-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4ccc(F)cc4[nH]3)o2)c1
InChIInChI=1S/C18H15FN4O3S/c1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-7-11-5-6-12(19)8-15(11)22-16/h2-10,22-23H,1H3,(H,20,21)
InChIKeyXASJDURTZFWATM-UHFFFAOYSA-N
XLogP4.08
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (CID 71079320) is N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4ccc(F)cc4[nH]3)o2)c1.
What is the InChIKey of N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is XASJDURTZFWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-7-11-5-6-12(19)8-15(11)22-16/h2-10,22-23H,1H3,(H,20,21).
What are the key properties of N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 386.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71079320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).