N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide

C16H16N2O3S — CID 110729080

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C16H16N2O3S/c1-11-4-3-5-13(8-11)10-22(19,20)18-14-6-7-15-16(9-14)21-12(2)17-15/h3-9,18H,10H2,1-2H3
InChIKeyGPBKSDAOUYEIHX-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.39
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide

N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110729080) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110729080
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C16H16N2O3S/c1-11-4-3-5-13(8-11)10-22(19,20)18-14-6-7-15-16(9-14)21-12(2)17-15/h3-9,18H,10H2,1-2H3
InChIKeyGPBKSDAOUYEIHX-UHFFFAOYSA-N
XLogP3.39
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide (CID 110729080) is N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2ccc3nc(C)oc3c2)c1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is GPBKSDAOUYEIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-4-3-5-13(8-11)10-22(19,20)18-14-6-7-15-16(9-14)21-12(2)17-15/h3-9,18H,10H2,1-2H3.
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110729080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).