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

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Related Compounds

1-(3-bromophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476729
1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115477152
5-[[1-(3-bromophenyl)cyclohexyl]amino]pentanoic acid
CID 122121818
(E,2S)-1-[[1-(3-bromophenyl)cyclopropyl]amino]-7-fluoro-5-methylideneoct-6-en-2-ol;ethane
CID 143116922
(2S)-1-[[1-(5-bromothiophen-2-yl)cyclohexyl]amino]-4-(3-fluoro-5-methylphenyl)butan-2-ol
CID 143083162
tert-butyl N-[(2S,3R)-4-[[1-(3-bromophenyl)cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
CID 58802358
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
2-[2-[[1-(3-methylphenyl)cyclopentyl]amino]ethylsulfonyl]acetic acid
CID 122099711
ethyl 3-[1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexyl]benzoate
CID 58591289
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-iodophenyl)cyclohexyl]amino]butan-2-yl]acetamide
CID 58591323
tert-butyl N-[(2S)-4-[[1-(3-bromophenyl)cyclopropyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 142873960
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-propan-2-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide
CID 68539303

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).