N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide

C12H19ClN2O2S — CID 106023482

IUPACN-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O2S/c1-3-14-8-10(2)18(16,17)15-9-11-4-6-12(13)7-5-11/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKeyGLROPQFAZUQCPX-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.76
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide

N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide (PubChem CID 106023482) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
PubChem CID106023482
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O2S/c1-3-14-8-10(2)18(16,17)15-9-11-4-6-12(13)7-5-11/h4-7,10,14-15H,3,8-9H2,1-2H3
InChIKeyGLROPQFAZUQCPX-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
CID 114141265
1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
CID 106072908
1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
CID 106016143
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
2-[(4-chlorophenyl)methyl]-N-ethyl-4-methylsulfonylbutan-1-amine
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N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 106087679

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide (CID 106023482) is N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is GLROPQFAZUQCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-3-14-8-10(2)18(16,17)15-9-11-4-6-12(13)7-5-11/h4-7,10,14-15H,3,8-9H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide?
N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 290.82 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 106023482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).