N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide

C13H20FN3O3S — CID 136518921

IUPACN-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide
SMILESCC(C)Nc1cccc(F)c1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H20FN3O3S/c1-10(2)15-12-5-3-4-11(14)13(12)16-21(18,19)17-6-8-20-9-7-17/h3-5,10,15-16H,6-9H2,1-2H3
InChIKeyZAJJSLSZUWDHDI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.63
Rot. Bonds5

About N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide

N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide (PubChem CID 136518921) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide
PubChem CID136518921
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC NameN-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide
SMILESCC(C)Nc1cccc(F)c1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H20FN3O3S/c1-10(2)15-12-5-3-4-11(14)13(12)16-21(18,19)17-6-8-20-9-7-17/h3-5,10,15-16H,6-9H2,1-2H3
InChIKeyZAJJSLSZUWDHDI-UHFFFAOYSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
CID 113271455
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
CID 43606105
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 63189853
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
N-(3-amino-2,6-dimethylphenyl)morpholine-4-sulfonamide
CID 28783497
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide (CID 136518921) is N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide is CC(C)Nc1cccc(F)c1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide?
The InChIKey is ZAJJSLSZUWDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-10(2)15-12-5-3-4-11(14)13(12)16-21(18,19)17-6-8-20-9-7-17/h3-5,10,15-16H,6-9H2,1-2H3.
What are the key properties of N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide?
N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide has a molecular weight of 317.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 136518921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).