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

C11H17BrN2O3S — CID 65206608

IUPAC5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-8(5-6-17-2)14-18(15,16)11-7-9(13)3-4-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyYNDWPNHCZYOSBH-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.73
Rot. Bonds6

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

5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 65206608) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID65206608
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-8(5-6-17-2)14-18(15,16)11-7-9(13)3-4-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyYNDWPNHCZYOSBH-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

5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
2,5-dibromo-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 80708118
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
methyl 2-[(5-amino-2-bromophenyl)sulfonylamino]propanoate
CID 65206495
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64600281
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 65206608) is 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide is COCCC(C)NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is YNDWPNHCZYOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8(5-6-17-2)14-18(15,16)11-7-9(13)3-4-10(11)12/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide?
5-amino-2-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 5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65206608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).