1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene

C8H10F2N2O3S — CID 111450119

IUPAC1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
SMILESNS(=O)(=O)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C8H10F2N2O3S/c9-5-2-1-3-6(10)8(5)7(13)4-12-16(11,14)15/h1-3,7,12-13H,4H2,(H2,11,14,15)
InChIKeyFHNULIUGVOYHDC-UHFFFAOYSA-N
MW252.24 g/mol
LogP-0.21
Rot. Bonds4

About 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene

1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene (PubChem CID 111450119) has the molecular formula C8H10F2N2O3S and a molecular weight of 252.24 g/mol. Its IUPAC name is 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
PubChem CID111450119
Molecular FormulaC8H10F2N2O3S
Molecular Weight252.24 g/mol
Exact Mass252.04
IUPAC Name1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
SMILESNS(=O)(=O)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C8H10F2N2O3S/c9-5-2-1-3-6(10)8(5)7(13)4-12-16(11,14)15/h1-3,7,12-13H,4H2,(H2,11,14,15)
InChIKeyFHNULIUGVOYHDC-UHFFFAOYSA-N
XLogP-0.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
CID 57344561
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CID 72703552
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CID 54938590
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1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene (CID 111450119) is 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene is NS(=O)(=O)NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene?
The InChIKey is FHNULIUGVOYHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3S/c9-5-2-1-3-6(10)8(5)7(13)4-12-16(11,14)15/h1-3,7,12-13H,4H2,(H2,11,14,15).
What are the key properties of 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene?
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene has a molecular weight of 252.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 111450119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).