N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide

C17H20ClFN2O2S — CID 120877130

IUPACN-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H20ClFN2O2S/c18-16-12-15(6-7-17(16)19)13-24(22,23)21(11-9-20)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,20H2
InChIKeyLWANUZUHKWHZHL-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.81
Rot. Bonds8

About N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide

N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide (PubChem CID 120877130) has the molecular formula C17H20ClFN2O2S and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
PubChem CID120877130
Molecular FormulaC17H20ClFN2O2S
Molecular Weight370.88 g/mol
Exact Mass370.09
IUPAC NameN-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H20ClFN2O2S/c18-16-12-15(6-7-17(16)19)13-24(22,23)21(11-9-20)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,20H2
InChIKeyLWANUZUHKWHZHL-UHFFFAOYSA-N
XLogP2.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895321
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 120895674
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
CID 2761444
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 120875512
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide (CID 120877130) is N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide is NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is LWANUZUHKWHZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O2S/c18-16-12-15(6-7-17(16)19)13-24(22,23)21(11-9-20)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,20H2.
What are the key properties of N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide?
N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 370.88 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 120877130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).