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

C11H14N2O3S — CID 141414520

IUPACN-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c(C)noc2cc1C
InChIInChI=1S/C11H14N2O3S/c1-4-17(14,15)13-10-6-9-8(3)12-16-11(9)5-7(10)2/h5-6,13H,4H2,1-3H3
InChIKeyPPYDRQMGOSWUKS-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.21
Rot. Bonds3

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

N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide (PubChem CID 141414520) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
PubChem CID141414520
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c(C)noc2cc1C
InChIInChI=1S/C11H14N2O3S/c1-4-17(14,15)13-10-6-9-8(3)12-16-11(9)5-7(10)2/h5-6,13H,4H2,1-3H3
InChIKeyPPYDRQMGOSWUKS-UHFFFAOYSA-N
XLogP2.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-4-nitrobenzenesulfonamide
CID 141414514
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1,2-benzoxazol-5-amine
CID 141414517
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
CID 130168364
N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide
CID 6496797
N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 141414508
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanesulfonamide
CID 130660856
3-[(6-fluoro-3-methyl-1,2-benzoxazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557409
ethyl 2-[[5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]butanoate
CID 141414544

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide?
The IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide (CID 141414520) is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cc2c(C)noc2cc1C.
What is the InChIKey of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide?
The InChIKey is PPYDRQMGOSWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-4-17(14,15)13-10-6-9-8(3)12-16-11(9)5-7(10)2/h5-6,13H,4H2,1-3H3.
What are the key properties of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide?
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 141414520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).