4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride

C18H21ClF2N2O3S — CID 119438655

IUPAC4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)c1.Cl
InChIInChI=1S/C18H20F2N2O3S.ClH/c1-2-21-11-14-4-3-5-16(10-14)22-17(23)15-8-6-13(7-9-15)12-26(24,25)18(19)20;/h3-10,18,21H,2,11-12H2,1H3,(H,22,23);1H
InChIKeyIVVSXRWHCSJJFW-UHFFFAOYSA-N
MW418.89 g/mol
LogP3.61
Rot. Bonds8

About 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride

4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride (PubChem CID 119438655) has the molecular formula C18H21ClF2N2O3S and a molecular weight of 418.89 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride
PubChem CID119438655
Molecular FormulaC18H21ClF2N2O3S
Molecular Weight418.89 g/mol
Exact Mass418.09
IUPAC Name4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)c1.Cl
InChIInChI=1S/C18H20F2N2O3S.ClH/c1-2-21-11-14-4-3-5-16(10-14)22-17(23)15-8-6-13(7-9-15)12-26(24,25)18(19)20;/h3-10,18,21H,2,11-12H2,1H3,(H,22,23);1H
InChIKeyIVVSXRWHCSJJFW-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-4-methylbenzamide
CID 133297905
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
CID 24616145
N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
CID 119438414
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride (CID 119438655) is 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride is CCNCc1cccc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)c1.Cl.
What is the InChIKey of 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The InChIKey is IVVSXRWHCSJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S.ClH/c1-2-21-11-14-4-3-5-16(10-14)22-17(23)15-8-6-13(7-9-15)12-26(24,25)18(19)20;/h3-10,18,21H,2,11-12H2,1H3,(H,22,23);1H.
What are the key properties of 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride has a molecular weight of 418.89 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119438655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).