N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

C19H22F3N3O3S — CID 55903709

IUPACN-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-24(2)12-13-25(14-15-6-4-3-5-7-15)29(27,28)17-10-8-16(9-11-17)23-18(26)19(20,21)22/h3-11H,12-14H2,1-2H3,(H,23,26)
InChIKeyRSJZXSCHGXGPTQ-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.94
Rot. Bonds8

About N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 55903709) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID55903709
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-24(2)12-13-25(14-15-6-4-3-5-7-15)29(27,28)17-10-8-16(9-11-17)23-18(26)19(20,21)22/h3-11H,12-14H2,1-2H3,(H,23,26)
InChIKeyRSJZXSCHGXGPTQ-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421
1-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-3-(1-ethylindol-5-yl)urea
CID 127029486
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2,2,2-trifluoro-N-[4-[methyl(naphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 55878446
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (CID 55903709) is N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is RSJZXSCHGXGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-24(2)12-13-25(14-15-6-4-3-5-7-15)29(27,28)17-10-8-16(9-11-17)23-18(26)19(20,21)22/h3-11H,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 429.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 55903709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).