2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide

C13H17N3O3S — CID 81177250

IUPAC2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCc1ccon1
InChIInChI=1S/C13H17N3O3S/c1-10(2)16-20(17,18)13-6-4-3-5-12(13)14-9-11-7-8-19-15-11/h3-8,10,14,16H,9H2,1-2H3
InChIKeyBYEWAHBYSHTMKV-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.97
Rot. Bonds6

About 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide

2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 81177250) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID81177250
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCc1ccon1
InChIInChI=1S/C13H17N3O3S/c1-10(2)16-20(17,18)13-6-4-3-5-12(13)14-9-11-7-8-19-15-11/h3-8,10,14,16H,9H2,1-2H3
InChIKeyBYEWAHBYSHTMKV-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-phenylpiperazine
CID 3368289
3,5-dimethyl-N-(2-(4-phenylpiperazin-1-yl)ethyl)isoxazole-4-sulfonamide
CID 3242432
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 5047238
N-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 6621650
(4-Fluorophenyl)(isoxazol-3-ylmethyl)(methylsulfonyl)amine
CID 24208312
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-diethylbenzenesulfonamide
CID 34065934
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 5047239
N-(4-(N-(2-(3-methylisoxazol-5-yl)ethyl)sulfamoyl)phenyl)acetamide
CID 71789757
N,N-diethyl-3,4-dimethyl-5-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 72003335
N-methyl-N-[[(2R)-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methyl]aniline
CID 97574781
4-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazole
CID 138709994

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide (CID 81177250) is 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is BYEWAHBYSHTMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)16-20(17,18)13-6-4-3-5-12(13)14-9-11-7-8-19-15-11/h3-8,10,14,16H,9H2,1-2H3.
What are the key properties of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 81177250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).