3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

C20H27N3O3S — CID 120754221

IUPAC3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H27N3O3S/c1-22(2)27(24,25)17-8-6-7-16(13-17)15-23-12-11-21-14-19(23)18-9-4-5-10-20(18)26-3/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyISUMIBDVOOGGBV-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.09
Rot. Bonds6

About 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 120754221) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID120754221
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H27N3O3S/c1-22(2)27(24,25)17-8-6-7-16(13-17)15-23-12-11-21-14-19(23)18-9-4-5-10-20(18)26-3/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyISUMIBDVOOGGBV-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120771182
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
CID 120753770
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120767587
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120767435
1-[(2-methoxy-5-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753678
1-[(3-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846326
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide (CID 120754221) is 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide is COc1ccccc1C1CNCCN1Cc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ISUMIBDVOOGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)27(24,25)17-8-6-7-16(13-17)15-23-12-11-21-14-19(23)18-9-4-5-10-20(18)26-3/h4-10,13,19,21H,11-12,14-15H2,1-3H3.
What are the key properties of 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide?
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 120754221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).