N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide

C17H18N2O3S — CID 59018250

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-4-13-5-8-15(9-6-13)23(20,21)19-14-7-10-16-17(11-14)22-12(2)18-16/h5-11,19H,3-4H2,1-2H3
InChIKeyVEUHICZIMFNJJU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.89
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide

N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide (PubChem CID 59018250) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
PubChem CID59018250
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-4-13-5-8-15(9-6-13)23(20,21)19-14-7-10-16-17(11-14)22-12(2)18-16/h5-11,19H,3-4H2,1-2H3
InChIKeyVEUHICZIMFNJJU-UHFFFAOYSA-N
XLogP3.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
CID 169370870
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729090
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
CID 110757506
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
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
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide (CID 59018250) is N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide?
The InChIKey is VEUHICZIMFNJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-4-13-5-8-15(9-6-13)23(20,21)19-14-7-10-16-17(11-14)22-12(2)18-16/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.89, 5 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)-4-propylbenzenesulfonamide is sourced from PubChem (CID 59018250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).