4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide

C11H16FN3O3S — CID 79897336

IUPAC4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C11H16FN3O3S/c1-7-9(12)5-8(13)6-10(7)19(17,18)15-4-2-3-11(14)16/h5-6,15H,2-4,13H2,1H3,(H2,14,16)
InChIKeyRGMBJUZSXYJAIR-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.26
Rot. Bonds6

About 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide

4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide (PubChem CID 79897336) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
PubChem CID79897336
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C11H16FN3O3S/c1-7-9(12)5-8(13)6-10(7)19(17,18)15-4-2-3-11(14)16/h5-6,15H,2-4,13H2,1H3,(H2,14,16)
InChIKeyRGMBJUZSXYJAIR-UHFFFAOYSA-N
XLogP0.26
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanoate
CID 79901838
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79898608
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893
5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide (CID 79897336) is 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide is Cc1c(F)cc(N)cc1S(=O)(=O)NCCCC(N)=O.
What is the InChIKey of 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide?
The InChIKey is RGMBJUZSXYJAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7-9(12)5-8(13)6-10(7)19(17,18)15-4-2-3-11(14)16/h5-6,15H,2-4,13H2,1H3,(H2,14,16).
What are the key properties of 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide?
4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide has a molecular weight of 289.33 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 79897336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).