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

C9H10N2O3S — CID 71369895

IUPACN,N-dimethyl-1,3-benzoxazole-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1nc2ccccc2o1
InChIInChI=1S/C9H10N2O3S/c1-11(2)15(12,13)9-10-7-5-3-4-6-8(7)14-9/h3-6H,1-2H3
InChIKeyYRTZUPXEGRMMQF-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.08
Rot. Bonds2

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

N,N-dimethyl-1,3-benzoxazole-2-sulfonamide (PubChem CID 71369895) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N,N-dimethyl-1,3-benzoxazole-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1,3-benzoxazole-2-sulfonamide
PubChem CID71369895
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN,N-dimethyl-1,3-benzoxazole-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1nc2ccccc2o1
InChIInChI=1S/C9H10N2O3S/c1-11(2)15(12,13)9-10-7-5-3-4-6-8(7)14-9/h3-6H,1-2H3
InChIKeyYRTZUPXEGRMMQF-UHFFFAOYSA-N
XLogP1.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,3-benzoxazole-2-sulfonic acid;silver
CID 160787540
formamide;2-methylsulfonyl-1,3-benzoxazole
CID 67836610
2-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 154146633
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride
CID 125425075
2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
CID 175303024
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
N,N-dimethyl-1H-benzimidazole-2-sulfonamide
CID 23041875
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
4-[1-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 51086703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-benzoxazole-2-sulfonamide?
The IUPAC name of N,N-dimethyl-1,3-benzoxazole-2-sulfonamide (CID 71369895) is N,N-dimethyl-1,3-benzoxazole-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1,3-benzoxazole-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-1,3-benzoxazole-2-sulfonamide is CN(C)S(=O)(=O)c1nc2ccccc2o1.
What is the InChIKey of N,N-dimethyl-1,3-benzoxazole-2-sulfonamide?
The InChIKey is YRTZUPXEGRMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-11(2)15(12,13)9-10-7-5-3-4-6-8(7)14-9/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1,3-benzoxazole-2-sulfonamide?
N,N-dimethyl-1,3-benzoxazole-2-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-benzoxazole-2-sulfonamide is sourced from PubChem (CID 71369895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).