N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide

C16H19ClN2O2S — CID 100665073

IUPACN-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide
SMILESCc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1Cl
InChIInChI=1S/C16H19ClN2O2S/c1-12-6-7-14(9-16(12)17)11-18-10-13-4-3-5-15(8-13)19-22(2,20)21/h3-9,18-19H,10-11H2,1-2H3
InChIKeyHWXSSVVKJSDADR-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.31
Rot. Bonds6

About N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide

N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide (PubChem CID 100665073) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide
PubChem CID100665073
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide
SMILESCc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1Cl
InChIInChI=1S/C16H19ClN2O2S/c1-12-6-7-14(9-16(12)17)11-18-10-13-4-3-5-15(8-13)19-22(2,20)21/h3-9,18-19H,10-11H2,1-2H3
InChIKeyHWXSSVVKJSDADR-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-ethylsulfonylethanamine
CID 106833820
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
CID 106817071
3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062838
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
N-[3-[(4-morpholin-4-ylanilino)methyl]phenyl]methanesulfonamide
CID 171675302
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
CID 120969422
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide (CID 100665073) is N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide is Cc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1Cl.
What is the InChIKey of N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide?
The InChIKey is HWXSSVVKJSDADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-12-6-7-14(9-16(12)17)11-18-10-13-4-3-5-15(8-13)19-22(2,20)21/h3-9,18-19H,10-11H2,1-2H3.
What are the key properties of N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide?
N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-chloro-4-methylphenyl)methylamino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 100665073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).