2-methyl-1,3-benzoxazole-5-sulfonamide

C8H8N2O3S — CID 43173624

IUPAC2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(N)(=O)=O)ccc2o1
InChIInChI=1S/C8H8N2O3S/c1-5-10-7-4-6(14(9,11)12)2-3-8(7)13-5/h2-4H,1H3,(H2,9,11,12)
InChIKeyVEGVHOUQXJXQRP-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-1,3-benzoxazole-5-sulfonamide

2-methyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 43173624) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazole-5-sulfonamide
PubChem CID43173624
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(N)(=O)=O)ccc2o1
InChIInChI=1S/C8H8N2O3S/c1-5-10-7-4-6(14(9,11)12)2-3-8(7)13-5/h2-4H,1H3,(H2,9,11,12)
InChIKeyVEGVHOUQXJXQRP-UHFFFAOYSA-N
XLogP0.78
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1,3-benzoxazole-5-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

N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
CID 116855218
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 110760549
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
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-methyl-1,3-benzoxazole-5-sulfonamide (CID 43173624) is 2-methyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-methyl-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(N)(=O)=O)ccc2o1.
What is the InChIKey of 2-methyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is VEGVHOUQXJXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-5-10-7-4-6(14(9,11)12)2-3-8(7)13-5/h2-4H,1H3,(H2,9,11,12).
What are the key properties of 2-methyl-1,3-benzoxazole-5-sulfonamide?
2-methyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 212.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 43173624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).