4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide

C12H16FN3O4S — CID 83093926

IUPAC4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
SMILESCc1cc(F)c(S(=O)(=O)N2CCOCC2C(N)=O)cc1N
InChIInChI=1S/C12H16FN3O4S/c1-7-4-8(13)11(5-9(7)14)21(18,19)16-2-3-20-6-10(16)12(15)17/h4-5,10H,2-3,6,14H2,1H3,(H2,15,17)
InChIKeyRDPTXNXUZJGCIZ-UHFFFAOYSA-N
MW317.34 g/mol
LogP-0.41
Rot. Bonds3

About 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide

4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 83093926) has the molecular formula C12H16FN3O4S and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
PubChem CID83093926
Molecular FormulaC12H16FN3O4S
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
SMILESCc1cc(F)c(S(=O)(=O)N2CCOCC2C(N)=O)cc1N
InChIInChI=1S/C12H16FN3O4S/c1-7-4-8(13)11(5-9(7)14)21(18,19)16-2-3-20-6-10(16)12(15)17/h4-5,10H,2-3,6,14H2,1H3,(H2,15,17)
InChIKeyRDPTXNXUZJGCIZ-UHFFFAOYSA-N
XLogP-0.41
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-0.41
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-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650
4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83092795
4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83098970
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 83096729
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
CID 83096595
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
CID 75397867

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide (CID 83093926) is 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide is Cc1cc(F)c(S(=O)(=O)N2CCOCC2C(N)=O)cc1N.
What is the InChIKey of 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is RDPTXNXUZJGCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4S/c1-7-4-8(13)11(5-9(7)14)21(18,19)16-2-3-20-6-10(16)12(15)17/h4-5,10H,2-3,6,14H2,1H3,(H2,15,17).
What are the key properties of 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide?
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 83093926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).