N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide

C18H27N5O3S — CID 120870475

IUPACN,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C18H27N5O3S/c1-21(2)27(24,25)16-6-4-15(5-7-16)26-13-12-23-11-8-19-14-17(23)18-20-9-10-22(18)3/h4-7,9-10,17,19H,8,11-14H2,1-3H3
InChIKeyHIKZTEZZKIYDPE-UHFFFAOYSA-N
MW393.51 g/mol
LogP0.70
Rot. Bonds7

About N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 120870475) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide
PubChem CID120870475
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C18H27N5O3S/c1-21(2)27(24,25)16-6-4-15(5-7-16)26-13-12-23-11-8-19-14-17(23)18-20-9-10-22(18)3/h4-7,9-10,17,19H,8,11-14H2,1-3H3
InChIKeyHIKZTEZZKIYDPE-UHFFFAOYSA-N
XLogP0.70
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
CID 120871041
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870032
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
CID 120869765
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120871028

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide (CID 120870475) is N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN2CCNCC2c2nccn2C)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is HIKZTEZZKIYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-21(2)27(24,25)16-6-4-15(5-7-16)26-13-12-23-11-8-19-14-17(23)18-20-9-10-22(18)3/h4-7,9-10,17,19H,8,11-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 120870475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).