N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride

C20H29ClN4O2S — CID 90656676

IUPACN-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
SMILESCN(CCN1CCN(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C20H28N4O2S.ClH/c1-22(20-10-6-7-18(17-20)21-27(2,25)26)11-12-23-13-15-24(16-14-23)19-8-4-3-5-9-19;/h3-10,17,21H,11-16H2,1-2H3;1H
InChIKeyDHRPMXZKJZDVBN-UHFFFAOYSA-N
MW425.00 g/mol
LogP2.74
Rot. Bonds7

About N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride

N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride (PubChem CID 90656676) has the molecular formula C20H29ClN4O2S and a molecular weight of 425.00 g/mol. Its IUPAC name is N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
PubChem CID90656676
Molecular FormulaC20H29ClN4O2S
Molecular Weight425.00 g/mol
Exact Mass424.17
IUPAC NameN-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
SMILESCN(CCN1CCN(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C20H28N4O2S.ClH/c1-22(20-10-6-7-18(17-20)21-27(2,25)26)11-12-23-13-15-24(16-14-23)19-8-4-3-5-9-19;/h3-10,17,21H,11-16H2,1-2H3;1H
InChIKeyDHRPMXZKJZDVBN-UHFFFAOYSA-N
XLogP2.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.00
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
CID 68546178
N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
CID 84587099
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 133418164
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 90656672
N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22762680
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 47086005
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride (CID 90656676) is N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride is CN(CCN1CCN(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1.Cl.
What is the InChIKey of N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is DHRPMXZKJZDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S.ClH/c1-22(20-10-6-7-18(17-20)21-27(2,25)26)11-12-23-13-15-24(16-14-23)19-8-4-3-5-9-19;/h3-10,17,21H,11-16H2,1-2H3;1H.
What are the key properties of N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride?
N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 425.00 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 90656676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).