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

C13H16BrN3O3S — CID 106378308

IUPAC5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CN)ccc2Br)oc1C
InChIInChI=1S/C13H16BrN3O3S/c1-8-9(2)20-13(17-8)7-16-21(18,19)12-5-10(6-15)3-4-11(12)14/h3-5,16H,6-7,15H2,1-2H3
InChIKeyNJQMZWJFIATWJP-UHFFFAOYSA-N
MW374.26 g/mol
LogP1.99
Rot. Bonds5

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

5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106378308) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106378308
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CN)ccc2Br)oc1C
InChIInChI=1S/C13H16BrN3O3S/c1-8-9(2)20-13(17-8)7-16-21(18,19)12-5-10(6-15)3-4-11(12)14/h3-5,16H,6-7,15H2,1-2H3
InChIKeyNJQMZWJFIATWJP-UHFFFAOYSA-N
XLogP1.99
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-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

2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377965
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
5-(aminomethyl)-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083558
3-amino-2-bromo-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369284
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015383
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275
5-(aminomethyl)-2-bromo-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092595
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
5-(aminomethyl)-2-bromo-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077537

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106378308) is 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cc(CN)ccc2Br)oc1C.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is NJQMZWJFIATWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-8-9(2)20-13(17-8)7-16-21(18,19)12-5-10(6-15)3-4-11(12)14/h3-5,16H,6-7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 374.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106378308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).