4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide

C17H18N2O4S — CID 110729090

IUPAC4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c(C)c1
InChIInChI=1S/C17H18N2O4S/c1-10-7-14(22-4)8-11(2)17(10)24(20,21)19-13-5-6-15-16(9-13)23-12(3)18-15/h5-9,19H,1-4H3
InChIKeyAEAKSCPIMQRWCV-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.56
Rot. Bonds4

About 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide

4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 110729090) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID110729090
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c(C)c1
InChIInChI=1S/C17H18N2O4S/c1-10-7-14(22-4)8-11(2)17(10)24(20,21)19-13-5-6-15-16(9-13)23-12(3)18-15/h5-9,19H,1-4H3
InChIKeyAEAKSCPIMQRWCV-UHFFFAOYSA-N
XLogP3.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563253
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 110729090) is 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is AEAKSCPIMQRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-7-14(22-4)8-11(2)17(10)24(20,21)19-13-5-6-15-16(9-13)23-12(3)18-15/h5-9,19H,1-4H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 110729090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).