N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide

C14H12N2O4S — CID 110759720

IUPACN-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3ncoc3c2)c1
InChIInChI=1S/C14H12N2O4S/c1-19-11-4-2-3-10(7-11)16-21(17,18)12-5-6-13-14(8-12)20-9-15-13/h2-9,16H,1H3
InChIKeyVIYRWZSNBAWHPA-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.64
Rot. Bonds4

About N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide

N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759720) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110759720
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC NameN-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3ncoc3c2)c1
InChIInChI=1S/C14H12N2O4S/c1-19-11-4-2-3-10(7-11)16-21(17,18)12-5-6-13-14(8-12)20-9-15-13/h2-9,16H,1H3
InChIKeyVIYRWZSNBAWHPA-UHFFFAOYSA-N
XLogP2.64
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110728965
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(3-methoxyphenyl)-2-oxoindol-1-ium-5-sulfonamide
CID 164971706
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide (CID 110759720) is N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc3ncoc3c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is VIYRWZSNBAWHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-19-11-4-2-3-10(7-11)16-21(17,18)12-5-6-13-14(8-12)20-9-15-13/h2-9,16H,1H3.
What are the key properties of N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide?
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).