2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide

C15H13BrN2O3S — CID 141414522

IUPAC2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O3S/c1-9-7-14-11(10(2)17-21-14)8-13(9)18-22(19,20)15-6-4-3-5-12(15)16/h3-8,18H,1-2H3
InChIKeyIIEZEFBPPKYYSN-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.01
Rot. Bonds3

About 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide

2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 141414522) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide
PubChem CID141414522
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O3S/c1-9-7-14-11(10(2)17-21-14)8-13(9)18-22(19,20)15-6-4-3-5-12(15)16/h3-8,18H,1-2H3
InChIKeyIIEZEFBPPKYYSN-UHFFFAOYSA-N
XLogP4.01
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide (CID 141414522) is 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide is Cc1cc2onc(C)c2cc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is IIEZEFBPPKYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-9-7-14-11(10(2)17-21-14)8-13(9)18-22(19,20)15-6-4-3-5-12(15)16/h3-8,18H,1-2H3.
What are the key properties of 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide?
2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 381.25 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 141414522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).