N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide

C19H13N3O4S — CID 10691115

IUPACN-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)c2nonc12)c1ccccc1
InChIInChI=1S/C19H13N3O4S/c23-19(13-7-3-1-4-8-13)20-15-11-12-16(18-17(15)21-26-22-18)27(24,25)14-9-5-2-6-10-14/h1-12H,(H,20,23)
InChIKeyWZAQXIYGOUPXRI-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.31
Rot. Bonds4

About N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide

N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide (PubChem CID 10691115) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide
PubChem CID10691115
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC NameN-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)c2nonc12)c1ccccc1
InChIInChI=1S/C19H13N3O4S/c23-19(13-7-3-1-4-8-13)20-15-11-12-16(18-17(15)21-26-22-18)27(24,25)14-9-5-2-6-10-14/h1-12H,(H,20,23)
InChIKeyWZAQXIYGOUPXRI-UHFFFAOYSA-N
XLogP3.31
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-benzamido-2,1,3-benzoxadiazole-4-sulfonic acid
CID 10567625
N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
CID 132603204
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
CID 84614613
N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide
CID 139094633
[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
CID 140973464
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
N-[4-(pyridin-2-ylsulfamoyl)naphthalen-1-yl]benzamide
CID 59656557
methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate
CID 1482745
N-(3-benzamidophenazin-2-yl)benzamide
CID 3547793
N-(4-methoxy-1,2,5-oxadiazol-3-yl)benzamide
CID 5048432

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide?
The IUPAC name of N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide (CID 10691115) is N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide?
The canonical SMILES for N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)c2nonc12)c1ccccc1.
What is the InChIKey of N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide?
The InChIKey is WZAQXIYGOUPXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c23-19(13-7-3-1-4-8-13)20-15-11-12-16(18-17(15)21-26-22-18)27(24,25)14-9-5-2-6-10-14/h1-12H,(H,20,23).
What are the key properties of N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide?
N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide has a molecular weight of 379.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide is sourced from PubChem (CID 10691115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).