4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide

C11H14FN3O4S — CID 83094650

IUPAC4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
SMILESNC(=O)C1COCCN1S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C11H14FN3O4S/c12-7-2-1-3-9(10(7)13)20(17,18)15-4-5-19-6-8(15)11(14)16/h1-3,8H,4-6,13H2,(H2,14,16)
InChIKeyZOCBVXMHDHIPLZ-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.72
Rot. Bonds3

About 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide

4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 83094650) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
PubChem CID83094650
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
SMILESNC(=O)C1COCCN1S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C11H14FN3O4S/c12-7-2-1-3-9(10(7)13)20(17,18)15-4-5-19-6-8(15)11(14)16/h1-3,8H,4-6,13H2,(H2,14,16)
InChIKeyZOCBVXMHDHIPLZ-UHFFFAOYSA-N
XLogP-0.72
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83092795
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]morpholine-3-carboxamide
CID 106594820
4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83098970
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925
5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 83096729
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide
CID 75443822
2-(3-carbamoylmorpholin-4-yl)-3-fluorobenzoic acid
CID 83095800
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
4-[(2-amino-3-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83096793

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide (CID 83094650) is 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide is NC(=O)C1COCCN1S(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is ZOCBVXMHDHIPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-7-2-1-3-9(10(7)13)20(17,18)15-4-5-19-6-8(15)11(14)16/h1-3,8H,4-6,13H2,(H2,14,16).
What are the key properties of 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide?
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 83094650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).