2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide

C11H17ClN2O2S — CID 43551886

IUPAC2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
SMILESCCC(NCCS(N)(=O)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-2-11(14-6-7-17(13,15)16)9-4-3-5-10(12)8-9/h3-5,8,11,14H,2,6-7H2,1H3,(H2,13,15,16)
InChIKeyPKVSVDHDVZNSEX-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.67
Rot. Bonds6

About 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide

2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide (PubChem CID 43551886) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
PubChem CID43551886
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
SMILESCCC(NCCS(N)(=O)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-2-11(14-6-7-17(13,15)16)9-4-3-5-10(12)8-9/h3-5,8,11,14H,2,6-7H2,1H3,(H2,13,15,16)
InChIKeyPKVSVDHDVZNSEX-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716760
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115667883
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide (CID 43551886) is 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide is CCC(NCCS(N)(=O)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide?
The InChIKey is PKVSVDHDVZNSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-2-11(14-6-7-17(13,15)16)9-4-3-5-10(12)8-9/h3-5,8,11,14H,2,6-7H2,1H3,(H2,13,15,16).
What are the key properties of 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide?
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide is sourced from PubChem (CID 43551886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).