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

C17H18N2O4S — CID 110728969

IUPACN-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3ncoc3c2)cc1C
InChIInChI=1S/C17H18N2O4S/c1-4-22-15-7-12(3)17(8-11(15)2)24(20,21)19-13-5-6-14-16(9-13)23-10-18-14/h5-10,19H,4H2,1-3H3
InChIKeyMPBNCPPSIGKHCE-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.64
Rot. Bonds5

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

N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110728969) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110728969
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3ncoc3c2)cc1C
InChIInChI=1S/C17H18N2O4S/c1-4-22-15-7-12(3)17(8-11(15)2)24(20,21)19-13-5-6-14-16(9-13)23-10-18-14/h5-10,19H,4H2,1-3H3
InChIKeyMPBNCPPSIGKHCE-UHFFFAOYSA-N
XLogP3.64
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
CID 110728981
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide (CID 110728969) is N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccc3ncoc3c2)cc1C.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is MPBNCPPSIGKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-4-22-15-7-12(3)17(8-11(15)2)24(20,21)19-13-5-6-14-16(9-13)23-10-18-14/h5-10,19H,4H2,1-3H3.
What are the key properties of N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 3.64, 5 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-ethoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110728969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).