2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

C10H16FN3O4S2 — CID 106333459

IUPAC2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H16FN3O4S2/c1-2-13-19(15,16)7-6-14-20(17,18)9-5-3-4-8(11)10(9)12/h3-5,13-14H,2,6-7,12H2,1H3
InChIKeyLJVBKORDMLWTSJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.37
Rot. Bonds7

About 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 106333459) has the molecular formula C10H16FN3O4S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID106333459
Molecular FormulaC10H16FN3O4S2
Molecular Weight325.39 g/mol
Exact Mass325.06
IUPAC Name2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H16FN3O4S2/c1-2-13-19(15,16)7-6-14-20(17,18)9-5-3-4-8(11)10(9)12/h3-5,13-14H,2,6-7,12H2,1H3
InChIKeyLJVBKORDMLWTSJ-UHFFFAOYSA-N
XLogP-0.37
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.37
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

2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 106340166
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413720
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
3-amino-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-sulfonamide
CID 106342302
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
CID 116645823

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (CID 106333459) is 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is LJVBKORDMLWTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O4S2/c1-2-13-19(15,16)7-6-14-20(17,18)9-5-3-4-8(11)10(9)12/h3-5,13-14H,2,6-7,12H2,1H3.
What are the key properties of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106333459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).