3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide

C13H17N3O3S — CID 62904543

IUPAC3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C13H17N3O3S/c1-3-12(14-2)10-5-4-6-11(9-10)20(17,18)16-13-7-8-19-15-13/h4-9,12,14H,3H2,1-2H3,(H,15,16)
InChIKeyGFWPEVIABHUKFW-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.15
Rot. Bonds6

About 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide

3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62904543) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62904543
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C13H17N3O3S/c1-3-12(14-2)10-5-4-6-11(9-10)20(17,18)16-13-7-8-19-15-13/h4-9,12,14H,3H2,1-2H3,(H,15,16)
InChIKeyGFWPEVIABHUKFW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 84599289
2-(ethylamino)-N-(1,2-oxazol-3-yl)pyrimidine-5-sulfonamide
CID 62902362
N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 62904543) is 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide is CCC(NC)c1cccc(S(=O)(=O)Nc2ccon2)c1.
What is the InChIKey of 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is GFWPEVIABHUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-12(14-2)10-5-4-6-11(9-10)20(17,18)16-13-7-8-19-15-13/h4-9,12,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide?
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62904543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).