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

C11H16BrClN2O3S — CID 64600281

IUPAC3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H16BrClN2O3S/c1-7(3-4-18-2)15-19(16,17)10-6-8(13)5-9(14)11(10)12/h5-7,15H,3-4,14H2,1-2H3
InChIKeyOVDWNGYTVVTZGQ-UHFFFAOYSA-N
MW371.68 g/mol
LogP2.39
Rot. Bonds6

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

3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 64600281) has the molecular formula C11H16BrClN2O3S and a molecular weight of 371.68 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID64600281
Molecular FormulaC11H16BrClN2O3S
Molecular Weight371.68 g/mol
Exact Mass369.98
IUPAC Name3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H16BrClN2O3S/c1-7(3-4-18-2)15-19(16,17)10-6-8(13)5-9(14)11(10)12/h5-7,15H,3-4,14H2,1-2H3
InChIKeyOVDWNGYTVVTZGQ-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 52.39
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-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
2,5-dibromo-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 80708118
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208359
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
3-amino-5-chloro-2-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 114380242
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 64600281) is 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide is COCCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is OVDWNGYTVVTZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O3S/c1-7(3-4-18-2)15-19(16,17)10-6-8(13)5-9(14)11(10)12/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 371.68 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64600281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).