2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride

C14H10ClNO3S — CID 82358041

IUPAC2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
SMILESCc1ccccc1-c1nc2ccc(S(=O)(=O)Cl)cc2o1
InChIInChI=1S/C14H10ClNO3S/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(20(15,17)18)8-13(12)19-14/h2-8H,1H3
InChIKeyWVXBQKIWPXCSHN-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.73
Rot. Bonds2

About 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride

2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride (PubChem CID 82358041) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
PubChem CID82358041
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
SMILESCc1ccccc1-c1nc2ccc(S(=O)(=O)Cl)cc2o1
InChIInChI=1S/C14H10ClNO3S/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(20(15,17)18)8-13(12)19-14/h2-8H,1H3
InChIKeyWVXBQKIWPXCSHN-UHFFFAOYSA-N
XLogP3.73
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride 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

2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358057
2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
2-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]isoindole-1,3-dione
CID 168516646
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
2-(2-methylphenyl)-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 50966942
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-acetyl-1,3-benzoxazole-6-sulfonyl chloride
CID 131464668
2-butyl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358031
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride?
The IUPAC name of 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride (CID 82358041) is 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride?
The canonical SMILES for 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride is Cc1ccccc1-c1nc2ccc(S(=O)(=O)Cl)cc2o1.
What is the InChIKey of 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride?
The InChIKey is WVXBQKIWPXCSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(20(15,17)18)8-13(12)19-14/h2-8H,1H3.
What are the key properties of 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride?
2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride has a molecular weight of 307.76 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride is sourced from PubChem (CID 82358041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).