N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide

C48H74ClI2N16O11S5V- — CID 162046289

About N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide

N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide (PubChem CID 162046289) has the molecular formula C48H74ClI2N16O11S5V- and a molecular weight of 1551.76 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide
• PubChem CID: 162046289
• Molecular Formula: C48H74ClI2N16O11S5V-
• Molecular Weight: 1551.76 g/mol
• Exact Mass: 1550.15
• IUPAC Name: N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide
• SMILES: C.C.CC.CC(C)c1cnn2c(=O)[nH]c(S(C)(=O)=O)nc12.CC(C)c1cnn2c(Cl)nc(S(C)(=O)=O)nc12.CC(C)c1cnn2c(NCc3ccccc3NS(C)(=O)=O)nc(S(C)(=O)=O)nc12.CS(=O)(=O)Nc1ccccc1CN.I[V]I.[CH3-]
• InChI: InChI=1S/C17H22N6O4S2.C9H11ClN4O2S.C9H12N4O3S.C8H12N2O2S.C2H6.2CH4.CH3.2HI.V/c1-11(2)13-10-19-23-15(13)20-17(28(3,24)25)21-16(23)18-9-12-7-5-6-8-14(12)22-29(4,26)27;1-5(2)6-4-11-14-7(6)12-9(13-8(14)10)17(3,15)16;1-5(2)6-4-10-13-7(6)11-8(12-9(13)14)17(3,15)16;1-13(11,12)10-8-5-3-2-4-7(8)6-9;1-2;;;;;;/h5-8,10-11,22H,9H2,1-4H3,(H,18,20,21);4-5H,1-3H3;4-5H,1-3H3,(H,11,12,14);2-5,10H,6,9H2,1H3;1-2H3;2*1H4;1H3;2*1H;/q;;;;;;;-1;;;+2/p-2
• InChIKey: ASFDTDDCWMXWAA-UHFFFAOYSA-L
• XLogP: 7.92
• TPSA: 382.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1551.76
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide (CID 162046289) is N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide is C.C.CC.CC(C)c1cnn2c(=O)[nH]c(S(C)(=O)=O)nc12.CC(C)c1cnn2c(Cl)nc(S(C)(=O)=O)nc12.CC(C)c1cnn2c(NCc3ccccc3NS(C)(=O)=O)nc(S(C)(=O)=O)nc12.CS(=O)(=O)Nc1ccccc1CN.I[V]I.[CH3-].

What is the InChIKey of N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide?

The InChIKey is ASFDTDDCWMXWAA-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H22N6O4S2.C9H11ClN4O2S.C9H12N4O3S.C8H12N2O2S.C2H6.2CH4.CH3.2HI.V/c1-11(2)13-10-19-23-15(13)20-17(28(3,24)25)21-16(23)18-9-12-7-5-6-8-14(12)22-29(4,26)27;1-5(2)6-4-11-14-7(6)12-9(13-8(14)10)17(3,15)16;1-5(2)6-4-10-13-7(6)11-8(12-9(13)14)17(3,15)16;1-13(11,12)10-8-5-3-2-4-7(8)6-9;1-2;;;;;;/h5-8,10-11,22H,9H2,1-4H3,(H,18,20,21);4-5H,1-3H3;4-5H,1-3H3,(H,11,12,14);2-5,10H,6,9H2,1H3;1-2H3;2*1H4;1H3;2*1H;/q;;;;;;;-1;;;+2/p-2.

What are the key properties of N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide?

N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide has a molecular weight of 1551.76 g/mol, XLogP of 7.92, 14 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(aminomethyl)phenyl]methanesulfonamide;carbanide;4-chloro-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;diiodovanadium;ethane;methane;2-methylsulfonyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;N-[2-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 162046289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).