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

C12H15N3O3S — CID 62904312

IUPACN-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccon2)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-8-13-10-3-5-11(6-4-10)19(16,17)15-12-7-9-18-14-12/h3-7,9,13H,2,8H2,1H3,(H,14,15)
InChIKeyVRXKFMGUFUKUIU-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.30
Rot. Bonds6

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

N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 62904312) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
PubChem CID62904312
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccon2)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-8-13-10-3-5-11(6-4-10)19(16,17)15-12-7-9-18-14-12/h3-7,9,13H,2,8H2,1H3,(H,14,15)
InChIKeyVRXKFMGUFUKUIU-UHFFFAOYSA-N
XLogP2.30
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
CID 62163004
2-(ethylamino)-N-(1,2-oxazol-3-yl)pyrimidine-5-sulfonamide
CID 62902362
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 84599289
4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904139

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide (CID 62904312) is N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2ccon2)cc1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is VRXKFMGUFUKUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-8-13-10-3-5-11(6-4-10)19(16,17)15-12-7-9-18-14-12/h3-7,9,13H,2,8H2,1H3,(H,14,15).
What are the key properties of N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide?
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62904312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).