5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide

C9H11F2N3O3S — CID 61094642

IUPAC5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
SMILESNc1cc(C(=O)NCCS(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C9H11F2N3O3S/c10-6-4-7(11)8(12)3-5(6)9(15)14-1-2-18(13,16)17/h3-4H,1-2,12H2,(H,14,15)(H2,13,16,17)
InChIKeyOILNAGIJBUSUIT-UHFFFAOYSA-N
MW279.27 g/mol
LogP-0.43
Rot. Bonds4

About 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide

5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide (PubChem CID 61094642) has the molecular formula C9H11F2N3O3S and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
PubChem CID61094642
Molecular FormulaC9H11F2N3O3S
Molecular Weight279.27 g/mol
Exact Mass279.05
IUPAC Name5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
SMILESNc1cc(C(=O)NCCS(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C9H11F2N3O3S/c10-6-4-7(11)8(12)3-5(6)9(15)14-1-2-18(13,16)17/h3-4H,1-2,12H2,(H,14,15)(H2,13,16,17)
InChIKeyOILNAGIJBUSUIT-UHFFFAOYSA-N
XLogP-0.43
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
CID 61102915
5-amino-2,4-difluoro-N-(3-methylsulfinylpropyl)benzamide
CID 113487107
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 63110426
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202634
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide (CID 61094642) is 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide is Nc1cc(C(=O)NCCS(N)(=O)=O)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide?
The InChIKey is OILNAGIJBUSUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3S/c10-6-4-7(11)8(12)3-5(6)9(15)14-1-2-18(13,16)17/h3-4H,1-2,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide?
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide has a molecular weight of 279.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 61094642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).