3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide

C17H19ClF3N3O4S2 — CID 46677366

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H19ClF3N3O4S2/c1-4-22-15-8-6-12(30(27,28)24(2)3)10-16(15)23-29(25,26)11-5-7-14(18)13(9-11)17(19,20)21/h5-10,22-23H,4H2,1-3H3
InChIKeySCHWVUUJFQZWMI-UHFFFAOYSA-N
MW485.94 g/mol
LogP3.84
Rot. Bonds7

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 46677366) has the molecular formula C17H19ClF3N3O4S2 and a molecular weight of 485.94 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID46677366
Molecular FormulaC17H19ClF3N3O4S2
Molecular Weight485.94 g/mol
Exact Mass485.05
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H19ClF3N3O4S2/c1-4-22-15-8-6-12(30(27,28)24(2)3)10-16(15)23-29(25,26)11-5-7-14(18)13(9-11)17(19,20)21/h5-10,22-23H,4H2,1-3H3
InChIKeySCHWVUUJFQZWMI-UHFFFAOYSA-N
XLogP3.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638
4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
CID 24580673
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
CID 134017324
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
4-chloro-N-(2,4-difluoro-3-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 156833204
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide (CID 46677366) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is SCHWVUUJFQZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O4S2/c1-4-22-15-8-6-12(30(27,28)24(2)3)10-16(15)23-29(25,26)11-5-7-14(18)13(9-11)17(19,20)21/h5-10,22-23H,4H2,1-3H3.
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 485.94 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 46677366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).