N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide

C13H17N3O3S — CID 62163004

IUPACN-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-8-14-11-4-6-12(7-5-11)20(17,18)16-13-9-10(2)15-19-13/h4-7,9,14,16H,3,8H2,1-2H3
InChIKeyZJHULLLCNNKHAR-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.61
Rot. Bonds6

About N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide

N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 62163004) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
PubChem CID62163004
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-8-14-11-4-6-12(7-5-11)20(17,18)16-13-9-10(2)15-19-13/h4-7,9,14,16H,3,8H2,1-2H3
InChIKeyZJHULLLCNNKHAR-UHFFFAOYSA-N
XLogP2.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
CID 43440462
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-(3-methyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629066
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60823742
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide (CID 62163004) is N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2cc(C)no2)cc1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is ZJHULLLCNNKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-8-14-11-4-6-12(7-5-11)20(17,18)16-13-9-10(2)15-19-13/h4-7,9,14,16H,3,8H2,1-2H3.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62163004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).