(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol

C10H12BrF2NO3S — CID 167979935

IUPAC(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(S(=O)(=O)C(F)(F)Br)cc1
InChIInChI=1S/C10H12BrF2NO3S/c1-7(15)6-14-8-2-4-9(5-3-8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m1/s1
InChIKeyJQQYZIPGUUGLMV-SSDOTTSWSA-N
MW344.18 g/mol
LogP2.20
Rot. Bonds5

About (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol

(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol (PubChem CID 167979935) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol
PubChem CID167979935
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC Name(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(S(=O)(=O)C(F)(F)Br)cc1
InChIInChI=1S/C10H12BrF2NO3S/c1-7(15)6-14-8-2-4-9(5-3-8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m1/s1
InChIKeyJQQYZIPGUUGLMV-SSDOTTSWSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]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

3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
N-(2-cyclopropylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115591442
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
CID 43427641
1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol
CID 56808438
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63226683
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol?
The IUPAC name of (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol (CID 167979935) is (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol is C[C@@H](O)CNc1ccc(S(=O)(=O)C(F)(F)Br)cc1.
What is the InChIKey of (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol?
The InChIKey is JQQYZIPGUUGLMV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c1-7(15)6-14-8-2-4-9(5-3-8)18(16,17)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol?
(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol has a molecular weight of 344.18 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol is sourced from PubChem (CID 167979935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).