1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol

C22H27BrFNO3S — CID 143107466

IUPAC1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol
SMILESCc1cc(F)cc(S(=O)(=O)CC(O)CNC2(c3cccc(Br)c3)CCCCC2)c1
InChIInChI=1S/C22H27BrFNO3S/c1-16-10-19(24)13-21(11-16)29(27,28)15-20(26)14-25-22(8-3-2-4-9-22)17-6-5-7-18(23)12-17/h5-7,10-13,20,25-26H,2-4,8-9,14-15H2,1H3
InChIKeyMUAWEPGIKQMOGV-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.48
Rot. Bonds7

About 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol

1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol (PubChem CID 143107466) has the molecular formula C22H27BrFNO3S and a molecular weight of 484.43 g/mol. Its IUPAC name is 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol
PubChem CID143107466
Molecular FormulaC22H27BrFNO3S
Molecular Weight484.43 g/mol
Exact Mass483.09
IUPAC Name1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol
SMILESCc1cc(F)cc(S(=O)(=O)CC(O)CNC2(c3cccc(Br)c3)CCCCC2)c1
InChIInChI=1S/C22H27BrFNO3S/c1-16-10-19(24)13-21(11-16)29(27,28)15-20(26)14-25-22(8-3-2-4-9-22)17-6-5-7-18(23)12-17/h5-7,10-13,20,25-26H,2-4,8-9,14-15H2,1H3
InChIKeyMUAWEPGIKQMOGV-UHFFFAOYSA-N
XLogP4.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol (CID 143107466) is 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol is Cc1cc(F)cc(S(=O)(=O)CC(O)CNC2(c3cccc(Br)c3)CCCCC2)c1.
What is the InChIKey of 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is MUAWEPGIKQMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrFNO3S/c1-16-10-19(24)13-21(11-16)29(27,28)15-20(26)14-25-22(8-3-2-4-9-22)17-6-5-7-18(23)12-17/h5-7,10-13,20,25-26H,2-4,8-9,14-15H2,1H3.
What are the key properties of 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol?
1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 484.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-bromophenyl)cyclohexyl]amino]-3-(3-fluoro-5-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 143107466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).