5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

C13H19N5O2S — CID 106077256

IUPAC5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NCCn2ccnn2)c1C
InChIInChI=1S/C13H19N5O2S/c1-10-7-12(9-14)8-13(11(10)2)21(19,20)16-4-6-18-5-3-15-17-18/h3,5,7-8,16H,4,6,9,14H2,1-2H3
InChIKeyWGGVUGQOFOUAHP-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.33
Rot. Bonds6

About 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 106077256) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID106077256
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NCCn2ccnn2)c1C
InChIInChI=1S/C13H19N5O2S/c1-10-7-12(9-14)8-13(11(10)2)21(19,20)16-4-6-18-5-3-15-17-18/h3,5,7-8,16H,4,6,9,14H2,1-2H3
InChIKeyWGGVUGQOFOUAHP-UHFFFAOYSA-N
XLogP0.33
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077026
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
4-(aminomethyl)-2-fluoro-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077035
5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077042
5-(aminomethyl)-2,3-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106016345
5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077153
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106085239
5-(aminomethyl)-2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018285
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (CID 106077256) is 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)NCCn2ccnn2)c1C.
What is the InChIKey of 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is WGGVUGQOFOUAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-7-12(9-14)8-13(11(10)2)21(19,20)16-4-6-18-5-3-15-17-18/h3,5,7-8,16H,4,6,9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106077256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).