N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide

C14H11N3O4S — CID 108795105

IUPACN-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc3ocnc3c2)cc1
InChIInChI=1S/C14H11N3O4S/c15-22(19,20)11-4-2-10(3-5-11)17-14(18)9-1-6-13-12(7-9)16-8-21-13/h1-8H,(H,17,18)(H2,15,19,20)
InChIKeyDRUJRNZAHQFPRK-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.73
Rot. Bonds3

About N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide

N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 108795105) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID108795105
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc3ocnc3c2)cc1
InChIInChI=1S/C14H11N3O4S/c15-22(19,20)11-4-2-10(3-5-11)17-14(18)9-1-6-13-12(7-9)16-8-21-13/h1-8H,(H,17,18)(H2,15,19,20)
InChIKeyDRUJRNZAHQFPRK-UHFFFAOYSA-N
XLogP1.73
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388234
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide (CID 108795105) is N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc3ocnc3c2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is DRUJRNZAHQFPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c15-22(19,20)11-4-2-10(3-5-11)17-14(18)9-1-6-13-12(7-9)16-8-21-13/h1-8H,(H,17,18)(H2,15,19,20).
What are the key properties of N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide?
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108795105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).