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

C10H14ClFN2O3S — CID 43258188

IUPAC5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-6(5-17-2)14-18(15,16)9-4-7(13)3-8(11)10(9)12/h3-4,6,14H,5,13H2,1-2H3
InChIKeyUMYNVCPVFQIBRM-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.37
Rot. Bonds5

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

5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 43258188) 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-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID43258188
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC Name5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-6(5-17-2)14-18(15,16)9-4-7(13)3-8(11)10(9)12/h3-4,6,14H,5,13H2,1-2H3
InChIKeyUMYNVCPVFQIBRM-UHFFFAOYSA-N
XLogP1.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 43258188) is 5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is UMYNVCPVFQIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O3S/c1-6(5-17-2)14-18(15,16)9-4-7(13)3-8(11)10(9)12/h3-4,6,14H,5,13H2,1-2H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 296.75 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 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-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43258188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).