1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene

C9H12ClFN2O3S — CID 72703552

IUPAC1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
SMILESNS(=O)(=O)NCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C9H12ClFN2O3S/c10-6-2-1-3-7(11)9(6)8(14)4-5-13-17(12,15)16/h1-3,8,13-14H,4-5H2,(H2,12,15,16)
InChIKeyALNZYTWSJJHGKA-UHFFFAOYSA-N
MW282.72 g/mol
LogP0.70
Rot. Bonds5

About 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene

1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene (PubChem CID 72703552) has the molecular formula C9H12ClFN2O3S and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
PubChem CID72703552
Molecular FormulaC9H12ClFN2O3S
Molecular Weight282.72 g/mol
Exact Mass282.02
IUPAC Name1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
SMILESNS(=O)(=O)NCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C9H12ClFN2O3S/c10-6-2-1-3-7(11)9(6)8(14)4-5-13-17(12,15)16/h1-3,8,13-14H,4-5H2,(H2,12,15,16)
InChIKeyALNZYTWSJJHGKA-UHFFFAOYSA-N
XLogP0.70
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene 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-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 65150848
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl] sulfamate
CID 139319255
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97325974
1,3-difluoro-2-[1-fluoro-2-(sulfamoylamino)ethyl]benzene
CID 57344561
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236880
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
(1S)-1-(2,6-dichlorophenyl)propane-1,3-diol
CID 90422655
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236881

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene (CID 72703552) is 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene is NS(=O)(=O)NCCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene?
The InChIKey is ALNZYTWSJJHGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O3S/c10-6-2-1-3-7(11)9(6)8(14)4-5-13-17(12,15)16/h1-3,8,13-14H,4-5H2,(H2,12,15,16).
What are the key properties of 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene?
1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene has a molecular weight of 282.72 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene is sourced from PubChem (CID 72703552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).