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

C13H15BrN2O4S — CID 106377965

IUPAC2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CO)ccc2Br)oc1C
InChIInChI=1S/C13H15BrN2O4S/c1-8-9(2)20-13(16-8)6-15-21(18,19)12-5-10(7-17)3-4-11(12)14/h3-5,15,17H,6-7H2,1-2H3
InChIKeyNKKHAUYHUVOSDX-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.02
Rot. Bonds5

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

2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 106377965) has the molecular formula C13H15BrN2O4S and a molecular weight of 375.24 g/mol. Its IUPAC name is 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
PubChem CID106377965
Molecular FormulaC13H15BrN2O4S
Molecular Weight375.24 g/mol
Exact Mass373.99
IUPAC Name2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CO)ccc2Br)oc1C
InChIInChI=1S/C13H15BrN2O4S/c1-8-9(2)20-13(16-8)6-15-21(18,19)12-5-10(7-17)3-4-11(12)14/h3-5,15,17H,6-7H2,1-2H3
InChIKeyNKKHAUYHUVOSDX-UHFFFAOYSA-N
XLogP2.02
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378308
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106377947
2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250
3-amino-2-bromo-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369284
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359083
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106369265

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide (CID 106377965) is 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cc(CO)ccc2Br)oc1C.
What is the InChIKey of 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is NKKHAUYHUVOSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4S/c1-8-9(2)20-13(16-8)6-15-21(18,19)12-5-10(7-17)3-4-11(12)14/h3-5,15,17H,6-7H2,1-2H3.
What are the key properties of 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 375.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106377965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).