3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide

C17H30N4O2S — CID 136534603

IUPAC3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(CCNS(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1
InChIInChI=1S/C17H30N4O2S/c1-5-20-10-12-21(13-11-20)9-8-18-24(22,23)16-7-6-15(2)17(14-16)19(3)4/h6-7,14,18H,5,8-13H2,1-4H3
InChIKeyLEPFPXHWNFADNZ-UHFFFAOYSA-N
MW354.52 g/mol
LogP0.98
Rot. Bonds7

About 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide

3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 136534603) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID136534603
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC Name3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(CCNS(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1
InChIInChI=1S/C17H30N4O2S/c1-5-20-10-12-21(13-11-20)9-8-18-24(22,23)16-7-6-15(2)17(14-16)19(3)4/h6-7,14,18H,5,8-13H2,1-4H3
InChIKeyLEPFPXHWNFADNZ-UHFFFAOYSA-N
XLogP0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
CID 55660200
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide (CID 136534603) is 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide is CCN1CCN(CCNS(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is LEPFPXHWNFADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-5-20-10-12-21(13-11-20)9-8-18-24(22,23)16-7-6-15(2)17(14-16)19(3)4/h6-7,14,18H,5,8-13H2,1-4H3.
What are the key properties of 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 136534603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).