N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide

C17H19N3O3S — CID 22204686

IUPACN-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C17H19N3O3S/c1-3-5-13-8-10-14(11-9-13)12(2)20-24(21,22)16-7-4-6-15-17(16)19-23-18-15/h4,6-12,20H,3,5H2,1-2H3
InChIKeyAOUQTIYEXKKAQE-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.21
Rot. Bonds6

About N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 22204686) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID22204686
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C17H19N3O3S/c1-3-5-13-8-10-14(11-9-13)12(2)20-24(21,22)16-7-4-6-15-17(16)19-23-18-15/h4,6-12,20H,3,5H2,1-2H3
InChIKeyAOUQTIYEXKKAQE-UHFFFAOYSA-N
XLogP3.21
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 39818916
N-[(1R)-1-(3-butoxyphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 39818989
N-[1-(2,5-dimethylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201013
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-[(4-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 19680703
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
2-[4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)phenyl]acetic acid
CID 17374414

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 22204686) is N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide is CCCc1ccc(C(C)NS(=O)(=O)c2cccc3nonc23)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is AOUQTIYEXKKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-5-13-8-10-14(11-9-13)12(2)20-24(21,22)16-7-4-6-15-17(16)19-23-18-15/h4,6-12,20H,3,5H2,1-2H3.
What are the key properties of N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 22204686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).