N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide

C13H11N3O4S — CID 4092014

IUPACN-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C13H11N3O4S/c1-19-10-7-5-9(6-8-10)16-21(17,18)12-4-2-3-11-13(12)15-20-14-11/h2-8,16H,1H3
InChIKeyNFDXZOWSHXPFCF-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.03
Rot. Bonds4

About N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide

N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 4092014) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID4092014
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC NameN-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C13H11N3O4S/c1-19-10-7-5-9(6-8-10)16-21(17,18)12-4-2-3-11-13(12)15-20-14-11/h2-8,16H,1H3
InChIKeyNFDXZOWSHXPFCF-UHFFFAOYSA-N
XLogP2.03
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-(4-iodo-3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 11531746
2-[4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)phenyl]acetic acid
CID 17374414
N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 75393074
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17374551
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265280
N-(4-bromo-2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774651
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 16782068
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide (CID 4092014) is N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is NFDXZOWSHXPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-19-10-7-5-9(6-8-10)16-21(17,18)12-4-2-3-11-13(12)15-20-14-11/h2-8,16H,1H3.
What are the key properties of N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 305.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 4092014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).