2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride

C18H24ClN3O2S — CID 73349113

IUPAC2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride
SMILESCN(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-20(2)17-14-15(21-12-10-19-11-13-21)8-9-18(17)24(22,23)16-6-4-3-5-7-16;/h3-9,14,19H,10-13H2,1-2H3;1H
InChIKeyUFAWUJONNLDZSF-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.42
Rot. Bonds4

About 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride

2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride (PubChem CID 73349113) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride
PubChem CID73349113
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride
SMILESCN(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-20(2)17-14-15(21-12-10-19-11-13-21)8-9-18(17)24(22,23)16-6-4-3-5-7-16;/h3-9,14,19H,10-13H2,1-2H3;1H
InChIKeyUFAWUJONNLDZSF-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride?
The IUPAC name of 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride (CID 73349113) is 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride.
What is the SMILES notation for 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride?
The canonical SMILES for 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride is CN(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride?
The InChIKey is UFAWUJONNLDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-20(2)17-14-15(21-12-10-19-11-13-21)8-9-18(17)24(22,23)16-6-4-3-5-7-16;/h3-9,14,19H,10-13H2,1-2H3;1H.
What are the key properties of 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride?
2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N,N-dimethyl-5-piperazin-1-ylaniline;hydrochloride is sourced from PubChem (CID 73349113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).