N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide

C13H21N3O2S — CID 91137331

IUPACN-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCCN1CCN(c2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C13H21N3O2S/c1-3-15-7-9-16(10-8-15)13-6-4-5-12(11-13)14-19(2,17)18/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyJYZZYWBSHAAMQB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.20
Rot. Bonds4

About N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide

N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide (PubChem CID 91137331) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
PubChem CID91137331
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCCN1CCN(c2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C13H21N3O2S/c1-3-15-7-9-16(10-8-15)13-6-4-5-12(11-13)14-19(2,17)18/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyJYZZYWBSHAAMQB-UHFFFAOYSA-N
XLogP1.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
CID 68546178
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
CID 90656676
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 173143971
N-[3-(3,6-diethyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 59878281
N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466261
N-[3-[4-[[1-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 118166947
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 155955616

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide (CID 91137331) is N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide is CCN1CCN(c2cccc(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide?
The InChIKey is JYZZYWBSHAAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-15-7-9-16(10-8-15)13-6-4-5-12(11-13)14-19(2,17)18/h4-6,11,14H,3,7-10H2,1-2H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide?
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 91137331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).