N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

C23H25ClN2O2S — CID 11037373

IUPACN-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O2S/c1-29(27,28)25-23-13-9-19(10-14-23)15-16-26(17-20-5-3-2-4-6-20)18-21-7-11-22(24)12-8-21/h2-14,25H,15-18H2,1H3
InChIKeyHSBSGJCYPVXHKB-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.96
Rot. Bonds9

About N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 11037373) has the molecular formula C23H25ClN2O2S and a molecular weight of 428.99 g/mol. Its IUPAC name is N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID11037373
Molecular FormulaC23H25ClN2O2S
Molecular Weight428.99 g/mol
Exact Mass428.13
IUPAC NameN-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O2S/c1-29(27,28)25-23-13-9-19(10-14-23)15-16-26(17-20-5-3-2-4-6-20)18-21-7-11-22(24)12-8-21/h2-14,25H,15-18H2,1H3
InChIKeyHSBSGJCYPVXHKB-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4''-chloro-4-biphenylyl)methanesulfonamide
CID 11254540
1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide
CID 2738598
4-(4-Chloro-phenyl)-N-(3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-benzenesulfonamide
CID 10173403
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
CID 11782125
N-{3-[Benzyl-(4-chloro-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512058
N-{3-[Benzyl-(2-chloro-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512087
N-(3-(benzyl-(4-chloro-2-fluoro-benzyl)-amino)-2-methyl-phenyl)-methanesulfonamide
CID 18512334
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584050
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
N-[4-[2-(dibenzylamino)ethyl]phenyl]methanesulfonamide
CID 11003767
N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 11113679
N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 11134523

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (CID 11037373) is N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCN(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is HSBSGJCYPVXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2S/c1-29(27,28)25-23-13-9-19(10-14-23)15-16-26(17-20-5-3-2-4-6-20)18-21-7-11-22(24)12-8-21/h2-14,25H,15-18H2,1H3.
What are the key properties of N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 428.99 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl-[(4-chlorophenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11037373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).