3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide

C14H19N3O3S — CID 43684742

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2c(C)noc2C)c1C
InChIInChI=1S/C14H19N3O3S/c1-8-5-12(21(15,18)19)6-14(9(8)2)16-7-13-10(3)17-20-11(13)4/h5-6,16H,7H2,1-4H3,(H2,15,18,19)
InChIKeyGOHHVHFLXWIFCA-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.17
Rot. Bonds4

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide (PubChem CID 43684742) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
PubChem CID43684742
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2c(C)noc2C)c1C
InChIInChI=1S/C14H19N3O3S/c1-8-5-12(21(15,18)19)6-14(9(8)2)16-7-13-10(3)17-20-11(13)4/h5-6,16H,7H2,1-4H3,(H2,15,18,19)
InChIKeyGOHHVHFLXWIFCA-UHFFFAOYSA-N
XLogP2.17
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684675
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 43684711
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
CID 28780736
3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 79782258
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide
CID 64990440
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 80711931
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide (CID 43684742) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NCc2c(C)noc2C)c1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide?
The InChIKey is GOHHVHFLXWIFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8-5-12(21(15,18)19)6-14(9(8)2)16-7-13-10(3)17-20-11(13)4/h5-6,16H,7H2,1-4H3,(H2,15,18,19).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43684742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).