1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea

C16H15ClN8O5S2 — CID 155520314

IUPAC1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C16H15ClN8O5S2/c17-13-22-14(20-9-1-5-11(6-2-9)31(18,27)28)24-15(23-13)25-16(26)21-10-3-7-12(8-4-10)32(19,29)30/h1-8H,(H2,18,27,28)(H2,19,29,30)(H3,20,21,22,23,24,25,26)
InChIKeyCWNLGMSAMCSVFJ-UHFFFAOYSA-N
MW498.93 g/mol
LogP1.21
Rot. Bonds6

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

1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea (PubChem CID 155520314) has the molecular formula C16H15ClN8O5S2 and a molecular weight of 498.93 g/mol. Its IUPAC name is 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
PubChem CID155520314
Molecular FormulaC16H15ClN8O5S2
Molecular Weight498.93 g/mol
Exact Mass498.03
IUPAC Name1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C16H15ClN8O5S2/c17-13-22-14(20-9-1-5-11(6-2-9)31(18,27)28)24-15(23-13)25-16(26)21-10-3-7-12(8-4-10)32(19,29)30/h1-8H,(H2,18,27,28)(H2,19,29,30)(H3,20,21,22,23,24,25,26)
InChIKeyCWNLGMSAMCSVFJ-UHFFFAOYSA-N
XLogP1.21
TPSA212.15 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.93
LogP ≤ 51.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[4-chloro-6-(4-sulfamoylanilino)-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-(4,6-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
4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44395149
4-(4,6-Dihydrazino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide
CID 44399317

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea (CID 155520314) is 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is CWNLGMSAMCSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN8O5S2/c17-13-22-14(20-9-1-5-11(6-2-9)31(18,27)28)24-15(23-13)25-16(26)21-10-3-7-12(8-4-10)32(19,29)30/h1-8H,(H2,18,27,28)(H2,19,29,30)(H3,20,21,22,23,24,25,26).
What are the key properties of 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 498.93 g/mol, XLogP of 1.21, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155520314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).