N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide

C14H19N3O3S — CID 106373721

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(CNC)cc2)o1
InChIInChI=1S/C14H19N3O3S/c1-3-12-9-16-14(20-12)10-17-21(18,19)13-6-4-11(5-7-13)8-15-2/h4-7,9,15,17H,3,8,10H2,1-2H3
InChIKeyKADJGYFZKLZWGA-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.43
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 106373721) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
PubChem CID106373721
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(CNC)cc2)o1
InChIInChI=1S/C14H19N3O3S/c1-3-12-9-16-14(20-12)10-17-21(18,19)13-6-4-11(5-7-13)8-15-2/h4-7,9,15,17H,3,8,10H2,1-2H3
InChIKeyKADJGYFZKLZWGA-UHFFFAOYSA-N
XLogP1.43
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373743
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106377727
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106378067
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368937
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106368971
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377845
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
3-amino-4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylbenzenesulfonamide
CID 106368919
4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 106370266

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide (CID 106373721) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(CNC)cc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KADJGYFZKLZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-12-9-16-14(20-12)10-17-21(18,19)13-6-4-11(5-7-13)8-15-2/h4-7,9,15,17H,3,8,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106373721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).