4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide

C16H19ClN2O2S — CID 35886708

IUPAC4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-12(14-5-9-16(10-6-14)22(18,20)21)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11H2,1-2H3,(H2,18,20,21)/t12-/m1/s1
InChIKeyXVTQMHBOIAAKAC-GFCCVEGCSA-N
MW338.86 g/mol
LogP3.18
Rot. Bonds5

About 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide

4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide (PubChem CID 35886708) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
PubChem CID35886708
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-12(14-5-9-16(10-6-14)22(18,20)21)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11H2,1-2H3,(H2,18,20,21)/t12-/m1/s1
InChIKeyXVTQMHBOIAAKAC-GFCCVEGCSA-N
XLogP3.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
4-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615125
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
CID 37303014
2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55439516
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide (CID 35886708) is 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide is C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The InChIKey is XVTQMHBOIAAKAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-12(14-5-9-16(10-6-14)22(18,20)21)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11H2,1-2H3,(H2,18,20,21)/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide?
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 35886708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).