5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide

C11H16FN5O4S2 — CID 159879875

IUPAC5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide
SMILESCN(C)S(=O)(=O)N1C=NC(Cc2ccccc2F)(S(N)(=O)=O)N1
InChIInChI=1S/C11H16FN5O4S2/c1-16(2)23(20,21)17-8-14-11(15-17,22(13,18)19)7-9-5-3-4-6-10(9)12/h3-6,8,15H,7H2,1-2H3,(H2,13,18,19)
InChIKeyNTJVNGRRAXNIBL-UHFFFAOYSA-N
MW365.41 g/mol
LogP-1.03
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide

5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide (PubChem CID 159879875) has the molecular formula C11H16FN5O4S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide
PubChem CID159879875
Molecular FormulaC11H16FN5O4S2
Molecular Weight365.41 g/mol
Exact Mass365.06
IUPAC Name5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide
SMILESCN(C)S(=O)(=O)N1C=NC(Cc2ccccc2F)(S(N)(=O)=O)N1
InChIInChI=1S/C11H16FN5O4S2/c1-16(2)23(20,21)17-8-14-11(15-17,22(13,18)19)7-9-5-3-4-6-10(9)12/h3-6,8,15H,7H2,1-2H3,(H2,13,18,19)
InChIKeyNTJVNGRRAXNIBL-UHFFFAOYSA-N
XLogP-1.03
TPSA125.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide 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

5-[(2-fluorophenyl)methyl]-5-methyl-1,4-dihydroimidazol-2-amine
CID 114835134
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26393154
4-amino-N-[(2-fluorophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 54952198
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19061841
2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclopentan-1-ol
CID 13458035
azane;1-ethyl-2-fluorobenzene
CID 66657049
4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one
CID 114835186
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761825

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide (CID 159879875) is 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide is CN(C)S(=O)(=O)N1C=NC(Cc2ccccc2F)(S(N)(=O)=O)N1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide?
The InChIKey is NTJVNGRRAXNIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O4S2/c1-16(2)23(20,21)17-8-14-11(15-17,22(13,18)19)7-9-5-3-4-6-10(9)12/h3-6,8,15H,7H2,1-2H3,(H2,13,18,19).
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide?
5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide has a molecular weight of 365.41 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1H-1,2,4-triazole-2,5-disulfonamide is sourced from PubChem (CID 159879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).