1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol

C11H16FNO3S — CID 114250018

IUPAC1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol
SMILESCC(C)C(O)CS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H16FNO3S/c1-7(2)10(14)6-17(15,16)11-5-8(12)3-4-9(11)13/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyCSARGUBQLBCCPF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol

1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol (PubChem CID 114250018) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol
PubChem CID114250018
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol
SMILESCC(C)C(O)CS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H16FNO3S/c1-7(2)10(14)6-17(15,16)11-5-8(12)3-4-9(11)13/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyCSARGUBQLBCCPF-UHFFFAOYSA-N
XLogP1.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
4-fluoro-2-(4-methylpentylsulfonyl)aniline
CID 83163308
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
4-fluoro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81183095
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
CID 81182916
(2-hydroxy-3-methylbutyl) 2-amino-5-fluorobenzoate
CID 114249945
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
4-fluoro-2-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81192768
methyl 3-[(2-amino-5-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140729
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol (CID 114250018) is 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol is CC(C)C(O)CS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol?
The InChIKey is CSARGUBQLBCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-7(2)10(14)6-17(15,16)11-5-8(12)3-4-9(11)13/h3-5,7,10,14H,6,13H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol?
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol is sourced from PubChem (CID 114250018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).