3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide

C11H16ClFN2O3S — CID 103051806

IUPAC3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(CCCO)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-7(3-2-4-16)15-19(17,18)10-6-8(12)5-9(14)11(10)13/h5-7,15-16H,2-4,14H2,1H3
InChIKeyRESQLEBSIORRLU-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.50
Rot. Bonds6

About 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide (PubChem CID 103051806) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
PubChem CID103051806
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(CCCO)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-7(3-2-4-16)15-19(17,18)10-6-8(12)5-9(14)11(10)13/h5-7,15-16H,2-4,14H2,1H3
InChIKeyRESQLEBSIORRLU-UHFFFAOYSA-N
XLogP1.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348102
3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103052135
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 103050568
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
3-(aminomethyl)-5-chloro-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 106046589
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
3-amino-4-bromo-5-chloro-2-fluoro-N-heptan-2-ylbenzenesulfonamide
CID 103077309
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
3-amino-5-chloro-2-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 114380242

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide (CID 103051806) is 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide is CC(CCCO)NS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide?
The InChIKey is RESQLEBSIORRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c1-7(3-2-4-16)15-19(17,18)10-6-8(12)5-9(14)11(10)13/h5-7,15-16H,2-4,14H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103051806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).