N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide

C17H18N2O3S — CID 110278799

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)c2nc3ccccc3o2)c1
InChIInChI=1S/C17H18N2O3S/c1-11-8-9-12(2)16(10-11)23(20,21)19-13(3)17-18-14-6-4-5-7-15(14)22-17/h4-10,13,19H,1-3H3
InChIKeyQAOQMIMXGTVCRI-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 110278799) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID110278799
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)c2nc3ccccc3o2)c1
InChIInChI=1S/C17H18N2O3S/c1-11-8-9-12(2)16(10-11)23(20,21)19-13(3)17-18-14-6-4-5-7-15(14)22-17/h4-10,13,19H,1-3H3
InChIKeyQAOQMIMXGTVCRI-UHFFFAOYSA-N
XLogP3.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2,5-dimethyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1398272
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
N-[1-(2,5-dimethylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201013
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22208964
2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 48629418

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 110278799) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(C)c2nc3ccccc3o2)c1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QAOQMIMXGTVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-8-9-12(2)16(10-11)23(20,21)19-13(3)17-18-14-6-4-5-7-15(14)22-17/h4-10,13,19H,1-3H3.
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110278799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).