N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide

C17H15N3O5S — CID 10809354

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2[N+](=O)[O-])c1C
InChIInChI=1S/C17H15N3O5S/c1-11-12(2)18-25-17(11)19-26(23,24)16-10-6-4-8-14(16)13-7-3-5-9-15(13)20(21)22/h3-10,19H,1-2H3
InChIKeyJKGIOCXEAJIYNE-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.67
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide (PubChem CID 10809354) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide
PubChem CID10809354
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2[N+](=O)[O-])c1C
InChIInChI=1S/C17H15N3O5S/c1-11-12(2)18-25-17(11)19-26(23,24)16-10-6-4-8-14(16)13-7-3-5-9-15(13)20(21)22/h3-10,19H,1-2H3
InChIKeyJKGIOCXEAJIYNE-UHFFFAOYSA-N
XLogP3.67
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylphenyl)benzenesulfonamide
CID 10521258
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)benzenesulfonamide
CID 10713411
2-(4-butylphenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 10691438
2-[4-(1,1-difluoro-2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 15462873
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 71998056
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-formylnaphthalene-1-sulfonamide
CID 18948947
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 22103640
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(propan-2-ylamino)naphthalene-1-sulfonamide
CID 10361107

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide (CID 10809354) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2[N+](=O)[O-])c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide?
The InChIKey is JKGIOCXEAJIYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-11-12(2)18-25-17(11)19-26(23,24)16-10-6-4-8-14(16)13-7-3-5-9-15(13)20(21)22/h3-10,19H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide has a molecular weight of 373.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 10809354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).