5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide

C12H18FN3O4S — CID 106233682

IUPAC5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
SMILESCOc1c(N)cc(S(=O)(=O)NCCCCC(N)=O)cc1F
InChIInChI=1S/C12H18FN3O4S/c1-20-12-9(13)6-8(7-10(12)14)21(18,19)16-5-3-2-4-11(15)17/h6-7,16H,2-5,14H2,1H3,(H2,15,17)
InChIKeyLZONJHPXWQKTBO-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.35
Rot. Bonds8

About 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide

5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide (PubChem CID 106233682) has the molecular formula C12H18FN3O4S and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
PubChem CID106233682
Molecular FormulaC12H18FN3O4S
Molecular Weight319.36 g/mol
Exact Mass319.10
IUPAC Name5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
SMILESCOc1c(N)cc(S(=O)(=O)NCCCCC(N)=O)cc1F
InChIInChI=1S/C12H18FN3O4S/c1-20-12-9(13)6-8(7-10(12)14)21(18,19)16-5-3-2-4-11(15)17/h6-7,16H,2-5,14H2,1H3,(H2,15,17)
InChIKeyLZONJHPXWQKTBO-UHFFFAOYSA-N
XLogP0.35
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
3-amino-5-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxybenzenesulfonamide
CID 106308791
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
3-amino-5-fluoro-4-methoxy-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 114626195
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 106164718
3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide (CID 106233682) is 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide is COc1c(N)cc(S(=O)(=O)NCCCCC(N)=O)cc1F.
What is the InChIKey of 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide?
The InChIKey is LZONJHPXWQKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O4S/c1-20-12-9(13)6-8(7-10(12)14)21(18,19)16-5-3-2-4-11(15)17/h6-7,16H,2-5,14H2,1H3,(H2,15,17).
What are the key properties of 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide?
5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide has a molecular weight of 319.36 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 106233682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).