3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide

C10H13BrClFN2O2S — CID 103077152

IUPAC3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C10H13BrClFN2O2S/c1-5(2)4-15-18(16,17)7-3-6(12)8(11)10(14)9(7)13/h3,5,15H,4,14H2,1-2H3
InChIKeyHRZUJIMNHBSHRE-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide

3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 103077152) has the molecular formula C10H13BrClFN2O2S and a molecular weight of 359.65 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID103077152
Molecular FormulaC10H13BrClFN2O2S
Molecular Weight359.65 g/mol
Exact Mass357.96
IUPAC Name3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C10H13BrClFN2O2S/c1-5(2)4-15-18(16,17)7-3-6(12)8(11)10(14)9(7)13/h3,5,15H,4,14H2,1-2H3
InChIKeyHRZUJIMNHBSHRE-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 103077152) is 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F.
What is the InChIKey of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HRZUJIMNHBSHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClFN2O2S/c1-5(2)4-15-18(16,17)7-3-6(12)8(11)10(14)9(7)13/h3,5,15H,4,14H2,1-2H3.
What are the key properties of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 359.65 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 103077152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).