5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H14ClFN2O3S — CID 43498633

IUPAC5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-10(2,5-15)14-18(16,17)8-4-6(13)3-7(11)9(8)12/h3-4,14-15H,5,13H2,1-2H3
InChIKeyLUJSPZLVHQUMHZ-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.11
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 43498633) has the molecular formula C10H14ClFN2O3S and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID43498633
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC Name5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-10(2,5-15)14-18(16,17)8-4-6(13)3-7(11)9(8)12/h3-4,14-15H,5,13H2,1-2H3
InChIKeyLUJSPZLVHQUMHZ-UHFFFAOYSA-N
XLogP1.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 43498633) is 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is LUJSPZLVHQUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O3S/c1-10(2,5-15)14-18(16,17)8-4-6(13)3-7(11)9(8)12/h3-4,14-15H,5,13H2,1-2H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 296.75 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43498633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).