4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol

C46H55Cl3N18O9S3 — CID 158573290

IUPAC4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol
SMILESCO.Clc1cc(Cl)n2ncnc2n1.NS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1.Nc1ccc(S(N)(=O)=O)cc1.OC1CCCCC1
InChIInChI=1S/C17H20N6O3S.C11H9ClN6O2S.C6H8N2O2S.C6H12O.C5H2Cl2N4.CH4O/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13;12-9-5-10(18-11(17-9)14-6-15-18)16-7-1-3-8(4-2-7)21(13,19)20;7-5-1-3-6(4-2-5)11(8,9)10;7-6-4-2-1-3-5-6;6-3-1-4(7)11-5(10-3)8-2-9-11;1-2/h6-11,13,21H,1-5H2,(H2,18,24,25);1-6,16H,(H2,13,19,20);1-4H,7H2,(H2,8,9,10);6-7H,1-5H2;1-2H;2H,1H3
InChIKeyHSIPPVNFLWZMBD-UHFFFAOYSA-N
MW1206.62 g/mol
LogP5.66
Rot. Bonds9

About 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol

4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol (PubChem CID 158573290) has the molecular formula C46H55Cl3N18O9S3 and a molecular weight of 1206.62 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol
PubChem CID158573290
Molecular FormulaC46H55Cl3N18O9S3
Molecular Weight1206.62 g/mol
Exact Mass1204.26
IUPAC Name4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol
SMILESCO.Clc1cc(Cl)n2ncnc2n1.NS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1.Nc1ccc(S(N)(=O)=O)cc1.OC1CCCCC1
InChIInChI=1S/C17H20N6O3S.C11H9ClN6O2S.C6H8N2O2S.C6H12O.C5H2Cl2N4.CH4O/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13;12-9-5-10(18-11(17-9)14-6-15-18)16-7-1-3-8(4-2-7)21(13,19)20;7-5-1-3-6(4-2-5)11(8,9)10;7-6-4-2-1-3-5-6;6-3-1-4(7)11-5(10-3)8-2-9-11;1-2/h6-11,13,21H,1-5H2,(H2,18,24,25);1-6,16H,(H2,13,19,20);1-4H,7H2,(H2,8,9,10);6-7H,1-5H2;1-2H;2H,1H3
InChIKeyHSIPPVNFLWZMBD-UHFFFAOYSA-N
XLogP5.66
TPSA409.49 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001206.62
LogP ≤ 55.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol?
The IUPAC name of 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol (CID 158573290) is 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol.
What is the SMILES notation for 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol?
The canonical SMILES for 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol is CO.Clc1cc(Cl)n2ncnc2n1.NS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1.Nc1ccc(S(N)(=O)=O)cc1.OC1CCCCC1.
What is the InChIKey of 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol?
The InChIKey is HSIPPVNFLWZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S.C11H9ClN6O2S.C6H8N2O2S.C6H12O.C5H2Cl2N4.CH4O/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13;12-9-5-10(18-11(17-9)14-6-15-18)16-7-1-3-8(4-2-7)21(13,19)20;7-5-1-3-6(4-2-5)11(8,9)10;7-6-4-2-1-3-5-6;6-3-1-4(7)11-5(10-3)8-2-9-11;1-2/h6-11,13,21H,1-5H2,(H2,18,24,25);1-6,16H,(H2,13,19,20);1-4H,7H2,(H2,8,9,10);6-7H,1-5H2;1-2H;2H,1H3.
What are the key properties of 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol?
4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol has a molecular weight of 1206.62 g/mol, XLogP of 5.66, 9 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol is sourced from PubChem (CID 158573290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).