2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C12H13BrN2O3S — CID 55081929

IUPAC2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Br)cc2N)o1
InChIInChI=1S/C12H13BrN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-5-3-9(13)6-11(12)14/h2-6,15H,7,14H2,1H3
InChIKeyVUKXTSRAKGQUCH-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 55081929) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID55081929
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Br)cc2N)o1
InChIInChI=1S/C12H13BrN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-5-3-9(13)6-11(12)14/h2-6,15H,7,14H2,1H3
InChIKeyVUKXTSRAKGQUCH-UHFFFAOYSA-N
XLogP2.41
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.41
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

2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
3-methyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 106998104
5-amino-3-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62525023
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-4-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61350401
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
2-amino-4-bromo-N-pent-4-ynylbenzenesulfonamide
CID 114159863
2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62524776

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 55081929) is 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2N)o1.
What is the InChIKey of 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is VUKXTSRAKGQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-5-3-9(13)6-11(12)14/h2-6,15H,7,14H2,1H3.
What are the key properties of 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55081929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).