(2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol

C15H15BrFNO2S — CID 135060999

IUPAC(2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-15(19,11-7-9-12(16)10-8-11)14(17)21(18,20)13-5-3-2-4-6-13/h2-10,14,18-19H,1H3/t14?,15-,21+/m0/s1
InChIKeyCLGHRLGJSCRDLB-LDNOTIAOSA-N
MW372.26 g/mol
LogP4.06
Rot. Bonds4

About (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol

(2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol (PubChem CID 135060999) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol
PubChem CID135060999
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name(2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-15(19,11-7-9-12(16)10-8-11)14(17)21(18,20)13-5-3-2-4-6-13/h2-10,14,18-19H,1H3/t14?,15-,21+/m0/s1
InChIKeyCLGHRLGJSCRDLB-LDNOTIAOSA-N
XLogP4.06
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol 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-[(4-Bromophenyl)sulfonyl]-2-phenyl-2-propanol
CID 3696027
2-(4-Bromophenyl)sulfonyl-1,1-bis(4-fluorophenyl)ethanol
CID 2726002
1-(4-Fluorophenyl)sulfonyl-2-phenylpropan-2-ol
CID 64716054
1-(Benzenesulfonyl)-2-(4-fluorophenyl)propan-2-ol
CID 134861884
(E)-1-(benzenesulfonyl)-2-(4-bromophenyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 135060779
(2S)-1-fluoro-3-methyl-2-phenyl-1-(phenylsulfonimidoyl)butan-2-ol
CID 135060795
(2S)-1-fluoro-2-(4-methylphenyl)-1-(phenylsulfonimidoyl)propan-2-ol
CID 135060998
(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
CID 135062051
(1S)-1-(4-bromophenyl)-2,2-difluoro-2-(phenylsulfonimidoyl)ethanol
CID 135070765
(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
CID 135070840
(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol
CID 135071208
2-(3-Bromophenyl)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 166447698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol?
The IUPAC name of (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol (CID 135060999) is (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol?
The canonical SMILES for (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol is [H]N=[S@@](=O)(c1ccccc1)C(F)[C@@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol?
The InChIKey is CLGHRLGJSCRDLB-LDNOTIAOSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-15(19,11-7-9-12(16)10-8-11)14(17)21(18,20)13-5-3-2-4-6-13/h2-10,14,18-19H,1H3/t14?,15-,21+/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol?
(2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol has a molecular weight of 372.26 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-1-fluoro-1-(phenylsulfonimidoyl)propan-2-ol is sourced from PubChem (CID 135060999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).