7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

C10H15N5O3S — CID 4125780

IUPAC7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCN)c2nonc12
InChIInChI=1S/C10H15N5O3S/c1-15(2)19(16,17)8-4-3-7(12-6-5-11)9-10(8)14-18-13-9/h3-4,12H,5-6,11H2,1-2H3
InChIKeyRDMBHRPODMXKHT-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.16
Rot. Bonds5

About 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 4125780) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound Name7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID4125780
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCN)c2nonc12
InChIInChI=1S/C10H15N5O3S/c1-15(2)19(16,17)8-4-3-7(12-6-5-11)9-10(8)14-18-13-9/h3-4,12H,5-6,11H2,1-2H3
InChIKeyRDMBHRPODMXKHT-UHFFFAOYSA-N
XLogP-0.16
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 4125780) is 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCCN)c2nonc12.
What is the InChIKey of 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is RDMBHRPODMXKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-15(2)19(16,17)8-4-3-7(12-6-5-11)9-10(8)14-18-13-9/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 4125780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).