4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride

C18H21ClN2O2S — CID 121464195

IUPAC4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride
SMILESCCN1CCN(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3)cc2)CC1
InChIInChI=1S/C18H21ClN2O2S/c1-2-20-11-13-21(14-12-20)17-7-3-15(4-8-17)16-5-9-18(10-6-16)24(19,22)23/h3-10H,2,11-14H2,1H3
InChIKeyOSRXWQMTNPURMP-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.42
Rot. Bonds4

About 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride

4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride (PubChem CID 121464195) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride
PubChem CID121464195
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride
SMILESCCN1CCN(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3)cc2)CC1
InChIInChI=1S/C18H21ClN2O2S/c1-2-20-11-13-21(14-12-20)17-7-3-15(4-8-17)16-5-9-18(10-6-16)24(19,22)23/h3-10H,2,11-14H2,1H3
InChIKeyOSRXWQMTNPURMP-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193
sodium 4-(4-ethylpiperazin-1-yl)benzenethiolate
CID 163265369
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-(2-chloroethyl)-4-(4-propylsulfonylphenyl)piperazine
CID 63392530
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
CID 158550826
1-ethyl-4-[4-(4-ethyl-2-pyridinyl)phenyl]piperazine
CID 170239680
4-ethyl-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026011
1-ethyl-4-pyridin-4-yl-1,4-diazepane
CID 121451794
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677
5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107753

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride?
The IUPAC name of 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride (CID 121464195) is 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride is CCN1CCN(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride?
The InChIKey is OSRXWQMTNPURMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-2-20-11-13-21(14-12-20)17-7-3-15(4-8-17)16-5-9-18(10-6-16)24(19,22)23/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride?
4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride has a molecular weight of 364.90 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride is sourced from PubChem (CID 121464195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).