N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

C15H16F3N3O4S2 — CID 52838841

IUPACN-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O4S2/c1-19-13-7-6-12(26(22,23)20-2)9-14(13)21-27(24,25)11-5-3-4-10(8-11)15(16,17)18/h3-9,19-21H,1-2H3
InChIKeyJLLSBKKUQLAKJE-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 52838841) has the molecular formula C15H16F3N3O4S2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID52838841
Molecular FormulaC15H16F3N3O4S2
Molecular Weight423.44 g/mol
Exact Mass423.05
IUPAC NameN-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O4S2/c1-19-13-7-6-12(26(22,23)20-2)9-14(13)21-27(24,25)11-5-3-4-10(8-11)15(16,17)18/h3-9,19-21H,1-2H3
InChIKeyJLLSBKKUQLAKJE-UHFFFAOYSA-N
XLogP2.46
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582379
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
methyl 3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 24651236
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (CID 52838841) is N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is JLLSBKKUQLAKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S2/c1-19-13-7-6-12(26(22,23)20-2)9-14(13)21-27(24,25)11-5-3-4-10(8-11)15(16,17)18/h3-9,19-21H,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 423.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 52838841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).