N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide

C21H29N3O5S2 — CID 4830106

IUPACN-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-3-29-19-6-10-21(11-7-19)31(27,28)24-16-14-23(15-17-24)13-12-22-30(25,26)20-8-4-18(2)5-9-20/h4-11,22H,3,12-17H2,1-2H3
InChIKeyCTQGQBDXJCHYJB-UHFFFAOYSA-N
MW467.61 g/mol
LogP1.68
Rot. Bonds9

About N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide

N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 4830106) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID4830106
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC NameN-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-3-29-19-6-10-21(11-7-19)31(27,28)24-16-14-23(15-17-24)13-12-22-30(25,26)20-8-4-18(2)5-9-20/h4-11,22H,3,12-17H2,1-2H3
InChIKeyCTQGQBDXJCHYJB-UHFFFAOYSA-N
XLogP1.68
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
N-[2-[3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]ethyl]-4-methylbenzenesulfonamide
CID 71652391
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
1-(4-methylphenyl)sulfonyl-4-[2-(sulfinoamino)ethyl]piperazine
CID 71192302
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533570
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide (CID 4830106) is N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CTQGQBDXJCHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-3-29-19-6-10-21(11-7-19)31(27,28)24-16-14-23(15-17-24)13-12-22-30(25,26)20-8-4-18(2)5-9-20/h4-11,22H,3,12-17H2,1-2H3.
What are the key properties of N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 467.61 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4830106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).