3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C11H12FN3O3S2 — CID 114625412

IUPAC3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)NCc2nccs2)cc1F
InChIInChI=1S/C11H12FN3O3S2/c1-18-11-8(12)4-7(5-9(11)13)20(16,17)15-6-10-14-2-3-19-10/h2-5,15H,6,13H2,1H3
InChIKeyILNPYWOVVLOEQO-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 114625412) has the molecular formula C11H12FN3O3S2 and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID114625412
Molecular FormulaC11H12FN3O3S2
Molecular Weight317.37 g/mol
Exact Mass317.03
IUPAC Name3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)NCc2nccs2)cc1F
InChIInChI=1S/C11H12FN3O3S2/c1-18-11-8(12)4-7(5-9(11)13)20(16,17)15-6-10-14-2-3-19-10/h2-5,15H,6,13H2,1H3
InChIKeyILNPYWOVVLOEQO-UHFFFAOYSA-N
XLogP1.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 114625759
3-(aminomethyl)-4-chloro-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 81458041
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
3-amino-5-fluoro-4-methoxy-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114626331
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
CID 106233682

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 114625412) is 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is COc1c(N)cc(S(=O)(=O)NCc2nccs2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is ILNPYWOVVLOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S2/c1-18-11-8(12)4-7(5-9(11)13)20(16,17)15-6-10-14-2-3-19-10/h2-5,15H,6,13H2,1H3.
What are the key properties of 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 114625412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).