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

C11H17BrN2O3S — CID 64601232

IUPAC4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H17BrN2O3S/c1-8(5-6-17-2)14-18(15,16)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyAGJUAOIPURQLLT-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.73
Rot. Bonds6

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

4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 64601232) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID64601232
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H17BrN2O3S/c1-8(5-6-17-2)14-18(15,16)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyAGJUAOIPURQLLT-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.73
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

4-amino-3-bromo-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113476908
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
6-amino-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 64602408
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605294
3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64600281
4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64605293
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
4-hydroxy-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64604894
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
2,5-dibromo-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 80708118
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 64601232) is 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide is COCCC(C)NS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is AGJUAOIPURQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8(5-6-17-2)14-18(15,16)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64601232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).