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

C13H16BrN3O3S — CID 114625195

IUPAC5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)c2cc(N)c(Br)cc2C)no1
InChIInChI=1S/C13H16BrN3O3S/c1-8-4-11(14)12(15)6-13(8)21(18,19)17(3)7-10-5-9(2)20-16-10/h4-6H,7,15H2,1-3H3
InChIKeyPFUUEUCWQMVGHZ-UHFFFAOYSA-N
MW374.26 g/mol
LogP2.46
Rot. Bonds4

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

5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (PubChem CID 114625195) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
PubChem CID114625195
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)c2cc(N)c(Br)cc2C)no1
InChIInChI=1S/C13H16BrN3O3S/c1-8-4-11(14)12(15)6-13(8)21(18,19)17(3)7-10-5-9(2)20-16-10/h4-6H,7,15H2,1-3H3
InChIKeyPFUUEUCWQMVGHZ-UHFFFAOYSA-N
XLogP2.46
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-fluoro-N,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 115421282
5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 43587615
5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
5-amino-4-bromo-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 114625158
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110714543
2-[(5-amino-4-bromo-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114625351
2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051360
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 43588143
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (CID 114625195) is 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is Cc1cc(CN(C)S(=O)(=O)c2cc(N)c(Br)cc2C)no1.
What is the InChIKey of 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is PFUUEUCWQMVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-8-4-11(14)12(15)6-13(8)21(18,19)17(3)7-10-5-9(2)20-16-10/h4-6H,7,15H2,1-3H3.
What are the key properties of 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 374.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 114625195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).