N,2-dimethyl-1,3-benzoxazole-5-sulfonamide

C9H10N2O3S — CID 83537343

IUPACN,2-dimethyl-1,3-benzoxazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C9H10N2O3S/c1-6-11-8-5-7(15(12,13)10-2)3-4-9(8)14-6/h3-5,10H,1-2H3
InChIKeyCBBYKVYMZYNESS-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.04
Rot. Bonds2

About N,2-dimethyl-1,3-benzoxazole-5-sulfonamide

N,2-dimethyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 83537343) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N,2-dimethyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-1,3-benzoxazole-5-sulfonamide
PubChem CID83537343
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN,2-dimethyl-1,3-benzoxazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C9H10N2O3S/c1-6-11-8-5-7(15(12,13)10-2)3-4-9(8)14-6/h3-5,10H,1-2H3
InChIKeyCBBYKVYMZYNESS-UHFFFAOYSA-N
XLogP1.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760529
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N,2-dimethyl-1,3-benzoxazole-5-sulfonamide (CID 83537343) is N,2-dimethyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N,2-dimethyl-1,3-benzoxazole-5-sulfonamide is CNS(=O)(=O)c1ccc2oc(C)nc2c1.
What is the InChIKey of N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is CBBYKVYMZYNESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-6-11-8-5-7(15(12,13)10-2)3-4-9(8)14-6/h3-5,10H,1-2H3.
What are the key properties of N,2-dimethyl-1,3-benzoxazole-5-sulfonamide?
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 83537343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).