N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide

C13H21ClN2O2S — CID 112503735

IUPACN-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H21ClN2O2S/c1-4-9-19(17,18)15-10-13(16(2)3)11-5-7-12(14)8-6-11/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyGLKGNNGFNHTJPN-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide

N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide (PubChem CID 112503735) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
PubChem CID112503735
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H21ClN2O2S/c1-4-9-19(17,18)15-10-13(16(2)3)11-5-7-12(14)8-6-11/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyGLKGNNGFNHTJPN-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide
CID 112503856
1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
CID 110621877
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide (CID 112503735) is N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1ccc(Cl)cc1)N(C)C.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide?
The InChIKey is GLKGNNGFNHTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-4-9-19(17,18)15-10-13(16(2)3)11-5-7-12(14)8-6-11/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide?
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide has a molecular weight of 304.84 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 112503735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).