3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C10H11BrN4O3S — CID 114380304

IUPAC3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cc(Br)cc(N)c2C)n1
InChIInChI=1S/C10H11BrN4O3S/c1-5-8(12)3-7(11)4-9(5)19(16,17)15-10-13-6(2)14-18-10/h3-4H,12H2,1-2H3,(H,13,14,15)
InChIKeyVXNWJJFXJCBHDY-UHFFFAOYSA-N
MW347.19 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 114380304) has the molecular formula C10H11BrN4O3S and a molecular weight of 347.19 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID114380304
Molecular FormulaC10H11BrN4O3S
Molecular Weight347.19 g/mol
Exact Mass345.97
IUPAC Name3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cc(Br)cc(N)c2C)n1
InChIInChI=1S/C10H11BrN4O3S/c1-5-8(12)3-7(11)4-9(5)19(16,17)15-10-13-6(2)14-18-10/h3-4H,12H2,1-2H3,(H,13,14,15)
InChIKeyVXNWJJFXJCBHDY-UHFFFAOYSA-N
XLogP1.83
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378523
5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 102946142
3-amino-5-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114378659
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 114380220
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337267
3-amino-5-bromo-N-(3-ethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 114379785

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 114380304) is 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2cc(Br)cc(N)c2C)n1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is VXNWJJFXJCBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O3S/c1-5-8(12)3-7(11)4-9(5)19(16,17)15-10-13-6(2)14-18-10/h3-4H,12H2,1-2H3,(H,13,14,15).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 347.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114380304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).