4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C11H13ClN6O3S — CID 51035422

IUPAC4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
InChIKeyQZIFPRRIFLBFHT-UHFFFAOYSA-N
MW344.78 g/mol
LogP0.32
Rot. Bonds6

About 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 51035422) has the molecular formula C11H13ClN6O3S and a molecular weight of 344.78 g/mol. Its IUPAC name is 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID51035422
Molecular FormulaC11H13ClN6O3S
Molecular Weight344.78 g/mol
Exact Mass344.05
IUPAC Name4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
InChIKeyQZIFPRRIFLBFHT-UHFFFAOYSA-N
XLogP0.32
TPSA143.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

Benzenesulfonamide, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CID 10018880
4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395202
Benzenesulfonic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, sodium salt (1:1)
CID 23678877
Methyl N-{4-Chloro-6-[(4-Sulfamoylphenyl)amino]-1,3,5-Triazin-2-Yl}glycinate
CID 51035423
3-[[4-(2-Carboxyethylamino)-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]propanoic acid
CID 56676517
2-[[4-Chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]propanoic acid
CID 56676518
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-amino-N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzenesulfonamide
CID 1118024
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 51035422) is 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1.
What is the InChIKey of 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is QZIFPRRIFLBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18).
What are the key properties of 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 344.78 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 51035422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).