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

C14H19N3O3S — CID 10470588

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-9-15-12-5-7-13(8-6-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-8,15,17H,4,9H2,1-3H3
InChIKeyARYCFFYGDKYENL-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.91
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 10470588) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
PubChem CID10470588
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-9-15-12-5-7-13(8-6-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-8,15,17H,4,9H2,1-3H3
InChIKeyARYCFFYGDKYENL-UHFFFAOYSA-N
XLogP2.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide (CID 10470588) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is ARYCFFYGDKYENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-9-15-12-5-7-13(8-6-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-8,15,17H,4,9H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 10470588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).