7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide

C14H22N4O3S — CID 17285143

IUPAC7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)c2nonc12
InChIInChI=1S/C14H22N4O3S/c1-5-17(6-2)11-9-10-12(14-13(11)15-21-16-14)22(19,20)18(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyYJPRNBFXFNUFMK-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.10
Rot. Bonds7

About 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 17285143) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound Name7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID17285143
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)c2nonc12
InChIInChI=1S/C14H22N4O3S/c1-5-17(6-2)11-9-10-12(14-13(11)15-21-16-14)22(19,20)18(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyYJPRNBFXFNUFMK-UHFFFAOYSA-N
XLogP2.10
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 17285143) is 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)c2nonc12.
What is the InChIKey of 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is YJPRNBFXFNUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-5-17(6-2)11-9-10-12(14-13(11)15-21-16-14)22(19,20)18(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide?
7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 17285143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).