1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea

C16H14ClN7O3S — CID 155523406

IUPAC1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H14ClN7O3S/c17-13-21-14(19-10-4-2-1-3-5-10)23-15(22-13)24-16(25)20-11-6-8-12(9-7-11)28(18,26)27/h1-9H,(H2,18,26,27)(H3,19,20,21,22,23,24,25)
InChIKeyWILMLGPZDCLMNZ-UHFFFAOYSA-N
MW419.85 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea

1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea (PubChem CID 155523406) has the molecular formula C16H14ClN7O3S and a molecular weight of 419.85 g/mol. Its IUPAC name is 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea
PubChem CID155523406
Molecular FormulaC16H14ClN7O3S
Molecular Weight419.85 g/mol
Exact Mass419.06
IUPAC Name1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H14ClN7O3S/c17-13-21-14(19-10-4-2-1-3-5-10)23-15(22-13)24-16(25)20-11-6-8-12(9-7-11)28(18,26)27/h1-9H,(H2,18,26,27)(H3,19,20,21,22,23,24,25)
InChIKeyWILMLGPZDCLMNZ-UHFFFAOYSA-N
XLogP2.56
TPSA151.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea 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

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
5-Amino-3-[[4-(aminosulfonyl)phenyl]amino]-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carboxamide
CID 5330811
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
5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
CID 145998262
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
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 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea (CID 155523406) is 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is WILMLGPZDCLMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7O3S/c17-13-21-14(19-10-4-2-1-3-5-10)23-15(22-13)24-16(25)20-11-6-8-12(9-7-11)28(18,26)27/h1-9H,(H2,18,26,27)(H3,19,20,21,22,23,24,25).
What are the key properties of 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea?
1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 419.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155523406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).