1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene

C8H10F2N2O2S — CID 57344466

IUPAC1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
SMILESNS(=O)(=O)NCC(F)c1ccc(F)cc1
InChIInChI=1S/C8H10F2N2O2S/c9-7-3-1-6(2-4-7)8(10)5-12-15(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14)
InChIKeyCMKBCPISIWJQKK-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.63
Rot. Bonds4

About 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene

1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene (PubChem CID 57344466) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
PubChem CID57344466
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
SMILESNS(=O)(=O)NCC(F)c1ccc(F)cc1
InChIInChI=1S/C8H10F2N2O2S/c9-7-3-1-6(2-4-7)8(10)5-12-15(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14)
InChIKeyCMKBCPISIWJQKK-UHFFFAOYSA-N
XLogP0.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide
CID 21098581
1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene
CID 154203860
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
CID 47121983
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene (CID 57344466) is 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene is NS(=O)(=O)NCC(F)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
The InChIKey is CMKBCPISIWJQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c9-7-3-1-6(2-4-7)8(10)5-12-15(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14).
What are the key properties of 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene has a molecular weight of 236.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 57344466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).