4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide

C13H17N5O2S — CID 16132

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IUPAC4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide
SMILESCCc1nc(CC)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C13H17N5O2S/c1-3-11-15-12(4-2)17-13(16-11)18-21(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKeyZQMQGBHQZZQTJE-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.38
Rot. Bonds5

About 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide

4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide (PubChem CID 16132) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide
PubChem CID16132
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide
SMILESCCc1nc(CC)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C13H17N5O2S/c1-3-11-15-12(4-2)17-13(16-11)18-21(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKeyZQMQGBHQZZQTJE-UHFFFAOYSA-N
XLogP1.38
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.38
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

Sulfamethazine
CID 5327
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
Ro 04-6790
CID 5312145
4-amino-N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
CID 911874
4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
CID 1118024
Sulfisomidine Sodium
CID 3543157
4-[(2,6-Diamino-4-pyrimidinyl)amino]benzenesulfonamide
CID 317746
4-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 11688636
4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395149
4-(4,6-Bis-propylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44399335
4-(4,6-Bis-diethylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44399499

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide (CID 16132) is 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide is CCc1nc(CC)nc(NS(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide?
The InChIKey is ZQMQGBHQZZQTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-11-15-12(4-2)17-13(16-11)18-21(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide?
4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 16132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).