N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C16H16N2O4S — CID 110728948

IUPACN-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3ncoc3c2)cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-7-16(11(2)6-14(10)21-3)23(19,20)18-12-4-5-13-15(8-12)22-9-17-13/h4-9,18H,1-3H3
InChIKeyFSOCSKSEWYLASW-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.25
Rot. Bonds4

About N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110728948) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110728948
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3ncoc3c2)cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-7-16(11(2)6-14(10)21-3)23(19,20)18-12-4-5-13-15(8-12)22-9-17-13/h4-9,18H,1-3H3
InChIKeyFSOCSKSEWYLASW-UHFFFAOYSA-N
XLogP3.25
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
CID 110728981
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
CID 75512057
N-[4-(1H-imidazol-5-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110668488
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 110728948) is N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc3ncoc3c2)cc1C.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is FSOCSKSEWYLASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-7-16(11(2)6-14(10)21-3)23(19,20)18-12-4-5-13-15(8-12)22-9-17-13/h4-9,18H,1-3H3.
What are the key properties of N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110728948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).