2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide

C16H16N2O3S — CID 110729056

IUPAC2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C16H16N2O3S/c1-10-4-5-11(2)16(8-10)22(19,20)18-13-6-7-14-15(9-13)21-12(3)17-14/h4-9,18H,1-3H3
InChIKeyOGNRWXNIOFNVRS-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.55
Rot. Bonds3

About 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide

2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 110729056) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID110729056
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C16H16N2O3S/c1-10-4-5-11(2)16(8-10)22(19,20)18-13-6-7-14-15(9-13)21-12(3)17-14/h4-9,18H,1-3H3
InChIKeyOGNRWXNIOFNVRS-UHFFFAOYSA-N
XLogP3.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729090
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
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
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924823
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 852255
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 1184157
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 110729056) is 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is OGNRWXNIOFNVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-4-5-11(2)16(8-10)22(19,20)18-13-6-7-14-15(9-13)21-12(3)17-14/h4-9,18H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 110729056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).