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

C10H14N4O3S — CID 25238444

IUPACN-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C10H14N4O3S/c1-14(2)7-6-11-18(15,16)9-5-3-4-8-10(9)13-17-12-8/h3-5,11H,6-7H2,1-2H3
InChIKeyKIHPJMWCTSIBKW-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.06
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 25238444) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID25238444
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC NameN-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C10H14N4O3S/c1-14(2)7-6-11-18(15,16)9-5-3-4-8-10(9)13-17-12-8/h3-5,11H,6-7H2,1-2H3
InChIKeyKIHPJMWCTSIBKW-UHFFFAOYSA-N
XLogP0.06
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
N-[(4-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 19680703
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
CID 3239240
N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide
CID 42582628
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
CID 46504550
N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22203272
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 84591138

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 25238444) is N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide is CN(C)CCNS(=O)(=O)c1cccc2nonc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is KIHPJMWCTSIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-14(2)7-6-11-18(15,16)9-5-3-4-8-10(9)13-17-12-8/h3-5,11H,6-7H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 25238444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).