2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C11H11Br2N3O3S — CID 106369131

IUPAC2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(N)cc(Br)cc2Br)o1
InChIInChI=1S/C11H11Br2N3O3S/c1-6-4-15-10(19-6)5-16-20(17,18)11-8(13)2-7(12)3-9(11)14/h2-4,16H,5,14H2,1H3
InChIKeyXQVHJUYOKGMRMW-UHFFFAOYSA-N
MW425.10 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106369131) has the molecular formula C11H11Br2N3O3S and a molecular weight of 425.10 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106369131
Molecular FormulaC11H11Br2N3O3S
Molecular Weight425.10 g/mol
Exact Mass422.89
IUPAC Name2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(N)cc(Br)cc2Br)o1
InChIInChI=1S/C11H11Br2N3O3S/c1-6-4-15-10(19-6)5-16-20(17,18)11-8(13)2-7(12)3-9(11)14/h2-4,16H,5,14H2,1H3
InChIKeyXQVHJUYOKGMRMW-UHFFFAOYSA-N
XLogP2.57
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.10
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
2-amino-4,6-dibromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304710
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377889
2-amino-4,6-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989060
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879
2-amino-4,6-dibromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61126563
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106369131) is 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2c(N)cc(Br)cc2Br)o1.
What is the InChIKey of 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is XQVHJUYOKGMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O3S/c1-6-4-15-10(19-6)5-16-20(17,18)11-8(13)2-7(12)3-9(11)14/h2-4,16H,5,14H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 425.10 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106369131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).