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

C8H9F3N2O2S — CID 57344561

IUPAC1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
SMILESNS(=O)(=O)NCC(F)c1c(F)cccc1F
InChIInChI=1S/C8H9F3N2O2S/c9-5-2-1-3-6(10)8(5)7(11)4-13-16(12,14)15/h1-3,7,13H,4H2,(H2,12,14,15)
InChIKeyNTIVJQWQQOGOSL-UHFFFAOYSA-N
MW254.23 g/mol
LogP0.77
Rot. Bonds4

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

1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene (PubChem CID 57344561) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
PubChem CID57344561
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
SMILESNS(=O)(=O)NCC(F)c1c(F)cccc1F
InChIInChI=1S/C8H9F3N2O2S/c9-5-2-1-3-6(10)8(5)7(11)4-13-16(12,14)15/h1-3,7,13H,4H2,(H2,12,14,15)
InChIKeyNTIVJQWQQOGOSL-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-fluoro-4-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
CID 57344466
1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
CID 72703552
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
CID 115406488
[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate
CID 139319255
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
(2,3-difluorophenyl)-fluoromethanesulfonamide
CID 90425501
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene (CID 57344561) is 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene is NS(=O)(=O)NCC(F)c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
The InChIKey is NTIVJQWQQOGOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-5-2-1-3-6(10)8(5)7(11)4-13-16(12,14)15/h1-3,7,13H,4H2,(H2,12,14,15).
What are the key properties of 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene?
1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene has a molecular weight of 254.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 57344561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).