4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C11H13N5O2S — CID 114387252

IUPAC4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2nccnn2)cc1
InChIInChI=1S/C11H13N5O2S/c12-6-5-9-1-3-10(4-2-9)19(17,18)16-11-13-7-8-14-15-11/h1-4,7-8H,5-6,12H2,(H,13,15,16)
InChIKeyMJHQAHKZNYOAHT-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.17
Rot. Bonds5

About 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide

4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114387252) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114387252
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2nccnn2)cc1
InChIInChI=1S/C11H13N5O2S/c12-6-5-9-1-3-10(4-2-9)19(17,18)16-11-13-7-8-14-15-11/h1-4,7-8H,5-6,12H2,(H,13,15,16)
InChIKeyMJHQAHKZNYOAHT-UHFFFAOYSA-N
XLogP0.17
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255
4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387082
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
6-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389293
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081990
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
2-bromo-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571544

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114387252) is 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide is NCCc1ccc(S(=O)(=O)Nc2nccnn2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is MJHQAHKZNYOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-6-5-9-1-3-10(4-2-9)19(17,18)16-11-13-7-8-14-15-11/h1-4,7-8H,5-6,12H2,(H,13,15,16).
What are the key properties of 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114387252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).