N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide

C16H16N2O3S — CID 84562589

IUPACN-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCC(C)c1nc2ccc(NS(=O)(=O)c3ccccc3)cc2o1
InChIInChI=1S/C16H16N2O3S/c1-11(2)16-17-14-9-8-12(10-15(14)21-16)18-22(19,20)13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChIKeyHWHGNGQNSKNIER-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.75
Rot. Bonds4

About N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 84562589) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID84562589
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCC(C)c1nc2ccc(NS(=O)(=O)c3ccccc3)cc2o1
InChIInChI=1S/C16H16N2O3S/c1-11(2)16-17-14-9-8-12(10-15(14)21-16)18-22(19,20)13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChIKeyHWHGNGQNSKNIER-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563223
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563253
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
CID 169370870
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 84562589) is N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide is CC(C)c1nc2ccc(NS(=O)(=O)c3ccccc3)cc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is HWHGNGQNSKNIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11(2)16-17-14-9-8-12(10-15(14)21-16)18-22(19,20)13-6-4-3-5-7-13/h3-11,18H,1-2H3.
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 84562589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).