[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate

C9H11ClFNO4S — CID 139319255

IUPAC[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate
SMILESC[C@H](OS(N)(=O)=O)[C@@H](O)c1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO4S/c1-5(16-17(12,14)15)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,13H,1H3,(H2,12,14,15)/t5-,9+/m0/s1
InChIKeyBYCDBANATOIERQ-SSDLBLMSSA-N
MW283.71 g/mol
LogP1.12
Rot. Bonds4

About [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate

[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate (PubChem CID 139319255) has the molecular formula C9H11ClFNO4S and a molecular weight of 283.71 g/mol. Its IUPAC name is [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate.

Molecular Properties

Compound Name[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate
PubChem CID139319255
Molecular FormulaC9H11ClFNO4S
Molecular Weight283.71 g/mol
Exact Mass283.01
IUPAC Name[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate
SMILESC[C@H](OS(N)(=O)=O)[C@@H](O)c1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO4S/c1-5(16-17(12,14)15)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,13H,1H3,(H2,12,14,15)/t5-,9+/m0/s1
InChIKeyBYCDBANATOIERQ-SSDLBLMSSA-N
XLogP1.12
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
CID 72703552
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
2-amino-1-(2-chloro-6-fluorophenyl)butane-1,4-diol
CID 83925234
1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 65150848
1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
CID 115799713
2-(2-chloro-6-fluorophenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 113422114

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate?
The IUPAC name of [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate (CID 139319255) is [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate.
What is the SMILES notation for [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate?
The canonical SMILES for [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate is C[C@H](OS(N)(=O)=O)[C@@H](O)c1c(F)cccc1Cl.
What is the InChIKey of [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate?
The InChIKey is BYCDBANATOIERQ-SSDLBLMSSA-N. The full InChI is InChI=1S/C9H11ClFNO4S/c1-5(16-17(12,14)15)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,13H,1H3,(H2,12,14,15)/t5-,9+/m0/s1.
What are the key properties of [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate?
[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate has a molecular weight of 283.71 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate is sourced from PubChem (CID 139319255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).