N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine

C13H21ClN2O2S — CID 86984298

IUPACN-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine
SMILESCCN(CC)S(=O)(=O)N(CC)Cc1ccccc1Cl
InChIInChI=1S/C13H21ClN2O2S/c1-4-15(5-2)19(17,18)16(6-3)11-12-9-7-8-10-13(12)14/h7-10H,4-6,11H2,1-3H3
InChIKeyQIKYQXQHOFPXDQ-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.75
Rot. Bonds7

About N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine

N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine (PubChem CID 86984298) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine
PubChem CID86984298
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine
SMILESCCN(CC)S(=O)(=O)N(CC)Cc1ccccc1Cl
InChIInChI=1S/C13H21ClN2O2S/c1-4-15(5-2)19(17,18)16(6-3)11-12-9-7-8-10-13(12)14/h7-10H,4-6,11H2,1-3H3
InChIKeyQIKYQXQHOFPXDQ-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine (CID 86984298) is N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine is CCN(CC)S(=O)(=O)N(CC)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine?
The InChIKey is QIKYQXQHOFPXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-4-15(5-2)19(17,18)16(6-3)11-12-9-7-8-10-13(12)14/h7-10H,4-6,11H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine?
N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine has a molecular weight of 304.84 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl-ethylsulfamoyl]-N-ethylethanamine is sourced from PubChem (CID 86984298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).