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

C11H15BrClFN2O2S — CID 103077142

IUPAC3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C11H15BrClFN2O2S/c1-4-11(2,3)16-19(17,18)7-5-6(13)8(12)10(15)9(7)14/h5,16H,4,15H2,1-3H3
InChIKeyRYMMGXBZMGADLG-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.29
Rot. Bonds4

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

3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 103077142) has the molecular formula C11H15BrClFN2O2S and a molecular weight of 373.68 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID103077142
Molecular FormulaC11H15BrClFN2O2S
Molecular Weight373.68 g/mol
Exact Mass371.97
IUPAC Name3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C11H15BrClFN2O2S/c1-4-11(2,3)16-19(17,18)7-5-6(13)8(12)10(15)9(7)14/h5,16H,4,15H2,1-3H3
InChIKeyRYMMGXBZMGADLG-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.29
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-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 103077142) is 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F.
What is the InChIKey of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RYMMGXBZMGADLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClFN2O2S/c1-4-11(2,3)16-19(17,18)7-5-6(13)8(12)10(15)9(7)14/h5,16H,4,15H2,1-3H3.
What are the key properties of 3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 373.68 g/mol, XLogP of 3.29, 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-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103077142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).