N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide

C14H19N3O3S — CID 62159078

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NCc1cc(C)on1
InChIInChI=1S/C14H19N3O3S/c1-3-8-15-13-6-4-5-7-14(13)21(18,19)16-10-12-9-11(2)20-17-12/h4-7,9,15-16H,3,8,10H2,1-2H3
InChIKeyQJBFYAMTIIOGBZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.28
Rot. Bonds7

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide (PubChem CID 62159078) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide
PubChem CID62159078
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NCc1cc(C)on1
InChIInChI=1S/C14H19N3O3S/c1-3-8-15-13-6-4-5-7-14(13)21(18,19)16-10-12-9-11(2)20-17-12/h4-7,9,15-16H,3,8,10H2,1-2H3
InChIKeyQJBFYAMTIIOGBZ-UHFFFAOYSA-N
XLogP2.28
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-sulfonamide
CID 103305089
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 47405544
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
3-(aminomethyl)-5-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 82878357
3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole
CID 47405494
methyl 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzoate
CID 51107350
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55101025

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide (CID 62159078) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)NCc1cc(C)on1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide?
The InChIKey is QJBFYAMTIIOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-8-15-13-6-4-5-7-14(13)21(18,19)16-10-12-9-11(2)20-17-12/h4-7,9,15-16H,3,8,10H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62159078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).