[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea

C11H15FN2O4S — CID 19009639

IUPAC[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea
SMILESCS(=O)(=O)c1ccc(C(O)C(CF)NC(N)=O)cc1
InChIInChI=1S/C11H15FN2O4S/c1-19(17,18)8-4-2-7(3-5-8)10(15)9(6-12)14-11(13)16/h2-5,9-10,15H,6H2,1H3,(H3,13,14,16)
InChIKeyHLQYIRMLWPIKLY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.13
Rot. Bonds5

About [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea

[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea (PubChem CID 19009639) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea
PubChem CID19009639
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea
SMILESCS(=O)(=O)c1ccc(C(O)C(CF)NC(N)=O)cc1
InChIInChI=1S/C11H15FN2O4S/c1-19(17,18)8-4-2-7(3-5-8)10(15)9(6-12)14-11(13)16/h2-5,9-10,15H,6H2,1H3,(H3,13,14,16)
InChIKeyHLQYIRMLWPIKLY-UHFFFAOYSA-N
XLogP0.13
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Thiamphenicol
CID 27200
Florfenicol
CID 114811
Racephenicol
CID 5433
2,2-Dichloro-N-(3-fluoro-1-hydroxy-1-(4-(methanesulfonyl)phenyl)propan-2-yl)acetamide
CID 5201447
Hydroxytolbutamide
CID 3656
Hydroxyhexamide
CID 18497
ent-Thiamphenicol
CID 146678
rel-(1R,2S)--N-[1-(Fluoromethyl)-2-hydroxy-2-(4-(methylsulforyl)phenyl)ethyl]-2,2-dichloroacetamide
CID 6604432
Florfenicol amine
CID 156406
(R(R*,R*))-2-Amino-1-(p-(methylsulphonyl)phenyl)propane-1,3-diol
CID 6452441
2-Amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
CID 19422964
2-Amino-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 49757562

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea?
The IUPAC name of [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea (CID 19009639) is [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea.
What is the SMILES notation for [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea?
The canonical SMILES for [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea is CS(=O)(=O)c1ccc(C(O)C(CF)NC(N)=O)cc1.
What is the InChIKey of [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea?
The InChIKey is HLQYIRMLWPIKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-19(17,18)8-4-2-7(3-5-8)10(15)9(6-12)14-11(13)16/h2-5,9-10,15H,6H2,1H3,(H3,13,14,16).
What are the key properties of [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea?
[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea has a molecular weight of 290.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]urea is sourced from PubChem (CID 19009639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).