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

C17H21ClN2O2S — CID 11810334

IUPACN-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-20(13-15-3-7-16(18)8-4-15)12-11-14-5-9-17(10-6-14)19-23(2,21)22/h3-10,19H,11-13H2,1-2H3
InChIKeyWRRZNWPPSPLWOQ-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.39
Rot. Bonds7

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

N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 11810334) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide
PubChem CID11810334
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-20(13-15-3-7-16(18)8-4-15)12-11-14-5-9-17(10-6-14)19-23(2,21)22/h3-10,19H,11-13H2,1-2H3
InChIKeyWRRZNWPPSPLWOQ-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide (CID 11810334) is N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide is CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is WRRZNWPPSPLWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-20(13-15-3-7-16(18)8-4-15)12-11-14-5-9-17(10-6-14)19-23(2,21)22/h3-10,19H,11-13H2,1-2H3.
What are the key properties of N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11810334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).