N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide

C10H15ClN2O2S — CID 62531388

IUPACN-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2O2S/c1-12-5-6-16(14,15)13-8-9-3-2-4-10(11)7-9/h2-4,7,12-13H,5-6,8H2,1H3
InChIKeyOYRFSVFDAUQRLF-UHFFFAOYSA-N
MW262.76 g/mol
LogP0.98
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide

N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide (PubChem CID 62531388) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
PubChem CID62531388
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2O2S/c1-12-5-6-16(14,15)13-8-9-3-2-4-10(11)7-9/h2-4,7,12-13H,5-6,8H2,1H3
InChIKeyOYRFSVFDAUQRLF-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47105679
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
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CID 25042955
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
1-[2-(benzylsulfamoyl)ethyl]-2-[(3-chlorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111176667
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 55062668
3-amino-N-[(3-chlorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885283
3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 61108348
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide (CID 62531388) is N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide?
The InChIKey is OYRFSVFDAUQRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-12-5-6-16(14,15)13-8-9-3-2-4-10(11)7-9/h2-4,7,12-13H,5-6,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide?
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 62531388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).