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

C10H10BrN3O3S — CID 54888419

IUPAC2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2N)on1
InChIInChI=1S/C10H10BrN3O3S/c1-6-4-10(17-13-6)14-18(15,16)9-5-7(11)2-3-8(9)12/h2-5,14H,12H2,1H3
InChIKeyVTTOULYUWKEMDS-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.13
Rot. Bonds3

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

2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 54888419) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID54888419
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2N)on1
InChIInChI=1S/C10H10BrN3O3S/c1-6-4-10(17-13-6)14-18(15,16)9-5-7(11)2-3-8(9)12/h2-5,14H,12H2,1H3
InChIKeyVTTOULYUWKEMDS-UHFFFAOYSA-N
XLogP2.13
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.13
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

5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60823742
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide
CID 62162311
4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 115944383
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 62162658
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 29037888
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 107860458
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
CID 64851285

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 54888419) is 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)ccc2N)on1.
What is the InChIKey of 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is VTTOULYUWKEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c1-6-4-10(17-13-6)14-18(15,16)9-5-7(11)2-3-8(9)12/h2-5,14H,12H2,1H3.
What are the key properties of 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 54888419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).