N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide

C19H25F3N2O3S — CID 18617283

IUPACN-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCCCCCCCCCc1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25F3N2O3S/c1-2-3-4-5-6-7-11-14-16-17(19(20,21)22)23-27-18(16)24-28(25,26)15-12-9-8-10-13-15/h8-10,12-13,24H,2-7,11,14H2,1H3
InChIKeyQUAIUPABTNKOHM-UHFFFAOYSA-N
MW418.48 g/mol
LogP5.79
Rot. Bonds11

About N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide

N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide (PubChem CID 18617283) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide
PubChem CID18617283
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC NameN-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCCCCCCCCCc1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25F3N2O3S/c1-2-3-4-5-6-7-11-14-16-17(19(20,21)22)23-27-18(16)24-28(25,26)15-12-9-8-10-13-15/h8-10,12-13,24H,2-7,11,14H2,1H3
InChIKeyQUAIUPABTNKOHM-UHFFFAOYSA-N
XLogP5.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 10759280
N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide
CID 70580971
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
N-tridecylbenzenesulfonamide
CID 3514704
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498
N-(1-hexylpyridin-1-ium-2-yl)benzenesulfonamide bromide
CID 167531235

Frequently Asked Questions

What is the IUPAC name of N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide (CID 18617283) is N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide is CCCCCCCCCc1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The InChIKey is QUAIUPABTNKOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c1-2-3-4-5-6-7-11-14-16-17(19(20,21)22)23-27-18(16)24-28(25,26)15-12-9-8-10-13-15/h8-10,12-13,24H,2-7,11,14H2,1H3.
What are the key properties of N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide?
N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide has a molecular weight of 418.48 g/mol, XLogP of 5.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18617283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).