2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide

C17H16N4O4S — CID 2812234

IUPAC2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C17H16N4O4S/c22-17(18-10-11-8-9-11)12-4-1-2-5-13(12)21-26(23,24)15-7-3-6-14-16(15)20-25-19-14/h1-7,11,21H,8-10H2,(H,18,22)
InChIKeyJTVWEKZBBNJNIU-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.16
Rot. Bonds6

About 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide

2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide (PubChem CID 2812234) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide
PubChem CID2812234
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C17H16N4O4S/c22-17(18-10-11-8-9-11)12-4-1-2-5-13(12)21-26(23,24)15-7-3-6-14-16(15)20-25-19-14/h1-7,11,21H,8-10H2,(H,18,22)
InChIKeyJTVWEKZBBNJNIU-UHFFFAOYSA-N
XLogP2.16
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide (CID 2812234) is 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide is O=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cccc2nonc12.
What is the InChIKey of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide?
The InChIKey is JTVWEKZBBNJNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-17(18-10-11-8-9-11)12-4-1-2-5-13(12)21-26(23,24)15-7-3-6-14-16(15)20-25-19-14/h1-7,11,21H,8-10H2,(H,18,22).
What are the key properties of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide?
2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide has a molecular weight of 372.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 2812234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).