3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide

C11H16ClFN2O3S — CID 103051252

IUPAC3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-7(6-18-2)5-15-19(16,17)10-4-8(12)3-9(14)11(10)13/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyBCBGIRKJKVQAJN-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.62
Rot. Bonds6

About 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 103051252) 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-(3-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID103051252
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-7(6-18-2)5-15-19(16,17)10-4-8(12)3-9(14)11(10)13/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyBCBGIRKJKVQAJN-UHFFFAOYSA-N
XLogP1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.62
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

3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
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-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 103050231
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
methyl 4-amino-2-[(3-methoxy-2-methylpropyl)sulfamoyl]benzoate
CID 102931175
3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide (CID 103051252) is 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide is COCC(C)CNS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is BCBGIRKJKVQAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c1-7(6-18-2)5-15-19(16,17)10-4-8(12)3-9(14)11(10)13/h3-4,7,15H,5-6,14H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 103051252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).