4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide

C12H16N4O3S — CID 82900882

IUPAC4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCc2ccon2)c1
InChIInChI=1S/C12H16N4O3S/c1-16(2)20(17,18)10-3-4-11(13)12(7-10)14-8-9-5-6-19-15-9/h3-7,14H,8,13H2,1-2H3
InChIKeyAKJVAZOTSCIPTB-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.12
Rot. Bonds5

About 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide

4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide (PubChem CID 82900882) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
PubChem CID82900882
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCc2ccon2)c1
InChIInChI=1S/C12H16N4O3S/c1-16(2)20(17,18)10-3-4-11(13)12(7-10)14-8-9-5-6-19-15-9/h3-7,14H,8,13H2,1-2H3
InChIKeyAKJVAZOTSCIPTB-UHFFFAOYSA-N
XLogP1.12
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900736
4-amino-N,N-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393237
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-(1H-imidazol-2-ylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82901093
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
6-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 81170517
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid
CID 81178457

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide (CID 82900882) is 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(NCc2ccon2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
The InChIKey is AKJVAZOTSCIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16(2)20(17,18)10-3-4-11(13)12(7-10)14-8-9-5-6-19-15-9/h3-7,14H,8,13H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide?
4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82900882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).