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

C9H7Cl2N5O2S — CID 10018880

IUPAC4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
InChIKeyPUDTYTHERJACAA-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.57
Rot. Bonds3

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

4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide (PubChem CID 10018880) has the molecular formula C9H7Cl2N5O2S and a molecular weight of 320.16 g/mol. Its IUPAC name is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
PubChem CID10018880
Molecular FormulaC9H7Cl2N5O2S
Molecular Weight320.16 g/mol
Exact Mass318.97
IUPAC Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
InChIKeyPUDTYTHERJACAA-UHFFFAOYSA-N
XLogP1.57
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
CID 16766
Benzenesulfonic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, sodium salt (1:1)
CID 23678877
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
3-[[4-Chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 15953784
2,4-Bis[(2-sulphophenyl)amino]-6-chloro-1,3,5-triazine
CID 85996770
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-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide (CID 10018880) is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The InChIKey is PUDTYTHERJACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16).
What are the key properties of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide has a molecular weight of 320.16 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 10018880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).