4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide

C14H21N7O2S — CID 1118024

IUPAC4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
SMILESCCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C14H21N7O2S/c1-4-16-12-18-13(17-9(2)3)20-14(19-12)21-24(22,23)11-7-5-10(15)6-8-11/h5-9H,4,15H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyKGDHVUROEMOGFZ-UHFFFAOYSA-N
MW351.44 g/mol
LogP1.51
Rot. Bonds7

About 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide

4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide (PubChem CID 1118024) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
PubChem CID1118024
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
SMILESCCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C14H21N7O2S/c1-4-16-12-18-13(17-9(2)3)20-14(19-12)21-24(22,23)11-7-5-10(15)6-8-11/h5-9H,4,15H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyKGDHVUROEMOGFZ-UHFFFAOYSA-N
XLogP1.51
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

Sulfasymazine
CID 16132
Benzenesulfonamide, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CID 10018880
4-({4-Chloro-6-[(2-Hydroxyethyl)amino]-1,3,5-Triazin-2-Yl}amino)benzenesulfonamide
CID 51035422
4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395202
4-amino-N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
CID 911874
4-(4,6-Dimethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395107
4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 73894059
4-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 11688636
4-[(4-Anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 24877657
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-isopropylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44399371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide (CID 1118024) is 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide is CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide?
The InChIKey is KGDHVUROEMOGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-4-16-12-18-13(17-9(2)3)20-14(19-12)21-24(22,23)11-7-5-10(15)6-8-11/h5-9H,4,15H2,1-3H3,(H3,16,17,18,19,20,21).
What are the key properties of 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide?
4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide has a molecular weight of 351.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1118024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).