4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

C17H20F3N3O4S2 — CID 24580638

IUPAC4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O4S2/c1-4-21-15-9-8-14(29(26,27)23(2)3)11-16(15)22-28(24,25)13-7-5-6-12(10-13)17(18,19)20/h5-11,21-22H,4H2,1-3H3
InChIKeyGRMFVRWCAKYKSZ-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.19
Rot. Bonds7

About 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 24580638) has the molecular formula C17H20F3N3O4S2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID24580638
Molecular FormulaC17H20F3N3O4S2
Molecular Weight451.49 g/mol
Exact Mass451.08
IUPAC Name4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O4S2/c1-4-21-15-9-8-14(29(26,27)23(2)3)11-16(15)22-28(24,25)13-7-5-6-12(10-13)17(18,19)20/h5-11,21-22H,4H2,1-3H3
InChIKeyGRMFVRWCAKYKSZ-UHFFFAOYSA-N
XLogP3.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 46677366
N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
CID 24580673
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
4-methyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169371397
4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 24541411
N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 91962367
3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
CID 26979142
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (CID 24580638) is 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is GRMFVRWCAKYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S2/c1-4-21-15-9-8-14(29(26,27)23(2)3)11-16(15)22-28(24,25)13-7-5-6-12(10-13)17(18,19)20/h5-11,21-22H,4H2,1-3H3.
What are the key properties of 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 451.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 24580638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).