4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide

C16H27N3O6S2 — CID 20971352

IUPAC4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
SMILESCOCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H27N3O6S2/c1-24-13-11-19(12-14-26(20,21)18-9-7-17-8-10-18)27(22,23)16-5-3-15(25-2)4-6-16/h3-6,17H,7-14H2,1-2H3
InChIKeyDCYLNKWJGMYTAV-UHFFFAOYSA-N
MW421.54 g/mol
LogP-0.43
Rot. Bonds10

About 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide

4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide (PubChem CID 20971352) has the molecular formula C16H27N3O6S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
PubChem CID20971352
Molecular FormulaC16H27N3O6S2
Molecular Weight421.54 g/mol
Exact Mass421.13
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
SMILESCOCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H27N3O6S2/c1-24-13-11-19(12-14-26(20,21)18-9-7-17-8-10-18)27(22,23)16-5-3-15(25-2)4-6-16/h3-6,17H,7-14H2,1-2H3
InChIKeyDCYLNKWJGMYTAV-UHFFFAOYSA-N
XLogP-0.43
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971314
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061694
2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide
CID 20971411
4-fluoro-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971322
4-ethoxy-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319253
4-fluoro-N-(3-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971419
4-chloro-N-(3-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971418
4-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 92503869
4-bromo-N-butyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061770
N-ethyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061729
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963371
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide (CID 20971352) is 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide is COCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is DCYLNKWJGMYTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O6S2/c1-24-13-11-19(12-14-26(20,21)18-9-7-17-8-10-18)27(22,23)16-5-3-15(25-2)4-6-16/h3-6,17H,7-14H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 421.54 g/mol, XLogP of -0.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 20971352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).