2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide

C17H18N2O4S — CID 110759877

IUPAC2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC(C)C)cc2o1
InChIInChI=1S/C17H18N2O4S/c1-11(2)22-16-7-5-4-6-15(16)19-24(20,21)13-8-9-14-17(10-13)23-12(3)18-14/h4-11,19H,1-3H3
InChIKeyVWQOLIROIPQYCU-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide

2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759877) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110759877
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC(C)C)cc2o1
InChIInChI=1S/C17H18N2O4S/c1-11(2)22-16-7-5-4-6-15(16)19-24(20,21)13-8-9-14-17(10-13)23-12(3)18-14/h4-11,19H,1-3H3
InChIKeyVWQOLIROIPQYCU-UHFFFAOYSA-N
XLogP3.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
2-methyl-N-(3-methylbutyl)-1,3-benzoxazole-6-sulfonamide
CID 46374849
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
2-amino-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 4962335
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390667
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
2-oxo-N-(2-propan-2-yloxyphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100738641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide (CID 110759877) is 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide is Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC(C)C)cc2o1.
What is the InChIKey of 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is VWQOLIROIPQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11(2)22-16-7-5-4-6-15(16)19-24(20,21)13-8-9-14-17(10-13)23-12(3)18-14/h4-11,19H,1-3H3.
What are the key properties of 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide?
2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).