N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide

C16H18Cl2N2O2S — CID 164615238

IUPACN-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(CCN)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O2S/c1-2-20(14-6-3-12(4-7-14)9-10-19)23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11H,2,9-10,19H2,1H3
InChIKeyRRHJHTBXBAKWGG-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.71
Rot. Bonds6

About N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide

N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide (PubChem CID 164615238) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide
PubChem CID164615238
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(CCN)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O2S/c1-2-20(14-6-3-12(4-7-14)9-10-19)23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11H,2,9-10,19H2,1H3
InChIKeyRRHJHTBXBAKWGG-UHFFFAOYSA-N
XLogP3.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide (CID 164615238) is N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide is CCN(c1ccc(CCN)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide?
The InChIKey is RRHJHTBXBAKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-2-20(14-6-3-12(4-7-14)9-10-19)23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11H,2,9-10,19H2,1H3.
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide?
N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide has a molecular weight of 373.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2,5-dichloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 164615238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).