4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide

C10H16FN3O4S2 — CID 106338502

IUPAC4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H16FN3O4S2/c1-2-14-19(15,16)6-5-13-10-4-3-8(7-9(10)11)20(12,17)18/h3-4,7,13-14H,2,5-6H2,1H3,(H2,12,17,18)
InChIKeyJWQHDSKICPJACM-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.18
Rot. Bonds7

About 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide

4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide (PubChem CID 106338502) has the molecular formula C10H16FN3O4S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
PubChem CID106338502
Molecular FormulaC10H16FN3O4S2
Molecular Weight325.39 g/mol
Exact Mass325.06
IUPAC Name4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H16FN3O4S2/c1-2-14-19(15,16)6-5-13-10-4-3-8(7-9(10)11)20(12,17)18/h3-4,7,13-14H,2,5-6H2,1H3,(H2,12,17,18)
InChIKeyJWQHDSKICPJACM-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
CID 83029980
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
CID 106338116

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide (CID 106338502) is 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide is CCNS(=O)(=O)CCNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide?
The InChIKey is JWQHDSKICPJACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O4S2/c1-2-14-19(15,16)6-5-13-10-4-3-8(7-9(10)11)20(12,17)18/h3-4,7,13-14H,2,5-6H2,1H3,(H2,12,17,18).
What are the key properties of 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide?
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106338502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).