N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

C17H18F3N5O2S — CID 22226790

IUPACN-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCNC.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C15H11F3N4O2S.C2H7N/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)22(21-14)11-6-8-12(9-7-11)25(19,23)24;1-3-2/h1-9H,(H2,19,23,24);3H,1-2H3
InChIKeyWTPNDNBJFWARGW-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.44
Rot. Bonds3

About N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 22226790) has the molecular formula C17H18F3N5O2S and a molecular weight of 413.43 g/mol. Its IUPAC name is N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID22226790
Molecular FormulaC17H18F3N5O2S
Molecular Weight413.43 g/mol
Exact Mass413.11
IUPAC NameN-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCNC.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C15H11F3N4O2S.C2H7N/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)22(21-14)11-6-8-12(9-7-11)25(19,23)24;1-3-2/h1-9H,(H2,19,23,24);3H,1-2H3
InChIKeyWTPNDNBJFWARGW-UHFFFAOYSA-N
XLogP2.44
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645135
N-[4-(5-Amino-3-p-tolyl-[1,2,4]triazole-1-sulfonyl)-phenyl]-acetamide
CID 647877
N-[4-(dimethylamino)benzyl]-1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2972530
1-((3-(5-((Difluoromethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl)sulfonyl)piperidine
CID 3000048
4-[5-[4-(Dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide
CID 57345687
N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645136
N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645137
3-[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 2450464
4-[2-(4-Fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 49788595
4-[5-(4-Fluorophenyl)tetrazol-1-yl]benzenesulfonamide
CID 57392194
4-[5-(4-Methylphenyl)tetrazol-1-yl]benzenesulfonamide
CID 57393943
4-(5-Phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 22226790) is N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is CNC.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)cc1.
What is the InChIKey of N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is WTPNDNBJFWARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S.C2H7N/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)22(21-14)11-6-8-12(9-7-11)25(19,23)24;1-3-2/h1-9H,(H2,19,23,24);3H,1-2H3.
What are the key properties of N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 413.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;4-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22226790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).