(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea

C8H10FN3O4S — CID 114626312

IUPAC(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
SMILESCOc1c(N)cc(S(=O)(=O)NC(N)=O)cc1F
InChIInChI=1S/C8H10FN3O4S/c1-16-7-5(9)2-4(3-6(7)10)17(14,15)12-8(11)13/h2-3H,10H2,1H3,(H3,11,12,13)
InChIKeyKONUGSORUJAQRX-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.23
Rot. Bonds3

About (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea

(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea (PubChem CID 114626312) has the molecular formula C8H10FN3O4S and a molecular weight of 263.25 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
PubChem CID114626312
Molecular FormulaC8H10FN3O4S
Molecular Weight263.25 g/mol
Exact Mass263.04
IUPAC Name(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
SMILESCOc1c(N)cc(S(=O)(=O)NC(N)=O)cc1F
InChIInChI=1S/C8H10FN3O4S/c1-16-7-5(9)2-4(3-6(7)10)17(14,15)12-8(11)13/h2-3H,10H2,1H3,(H3,11,12,13)
InChIKeyKONUGSORUJAQRX-UHFFFAOYSA-N
XLogP-0.23
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
CID 106233682
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 114625905
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
3-amino-5-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327940
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626124
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-5-fluoro-N-(4-hydroxybutan-2-yl)-4-methoxybenzenesulfonamide
CID 114626060
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 114624949
3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
CID 106181908

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea?
The IUPAC name of (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea (CID 114626312) is (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea.
What is the SMILES notation for (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea?
The canonical SMILES for (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea is COc1c(N)cc(S(=O)(=O)NC(N)=O)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea?
The InChIKey is KONUGSORUJAQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4S/c1-16-7-5(9)2-4(3-6(7)10)17(14,15)12-8(11)13/h2-3H,10H2,1H3,(H3,11,12,13).
What are the key properties of (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea?
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea has a molecular weight of 263.25 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea is sourced from PubChem (CID 114626312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).