1-[ethyl(sulfamoyl)amino]-3-fluorobenzene

C8H11FN2O2S — CID 112686124

IUPAC1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
SMILESCCN(c1cccc(F)c1)S(N)(=O)=O
InChIInChI=1S/C8H11FN2O2S/c1-2-11(14(10,12)13)8-5-3-4-7(9)6-8/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyKEIAGVKPGDJDOZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.86
Rot. Bonds3

About 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene

1-[ethyl(sulfamoyl)amino]-3-fluorobenzene (PubChem CID 112686124) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene.

Molecular Properties

Compound Name1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
PubChem CID112686124
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
SMILESCCN(c1cccc(F)c1)S(N)(=O)=O
InChIInChI=1S/C8H11FN2O2S/c1-2-11(14(10,12)13)8-5-3-4-7(9)6-8/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyKEIAGVKPGDJDOZ-UHFFFAOYSA-N
XLogP0.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270925
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
CID 115992583
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide
CID 103354480
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894
ethyl 4-[2-(3-fluoro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1006889
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene?
The IUPAC name of 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene (CID 112686124) is 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene.
What is the SMILES notation for 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene?
The canonical SMILES for 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene is CCN(c1cccc(F)c1)S(N)(=O)=O.
What is the InChIKey of 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene?
The InChIKey is KEIAGVKPGDJDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-2-11(14(10,12)13)8-5-3-4-7(9)6-8/h3-6H,2H2,1H3,(H2,10,12,13).
What are the key properties of 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene?
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene has a molecular weight of 218.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfamoyl)amino]-3-fluorobenzene is sourced from PubChem (CID 112686124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).