[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone

C23H23ClN2O4S2 — CID 19488938

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1ccc(Cl)c(OCc2csc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1
InChIInChI=1S/C23H23ClN2O4S2/c1-17-7-8-20(24)21(13-17)30-15-18-14-22(31-16-18)23(27)25-9-11-26(12-10-25)32(28,29)19-5-3-2-4-6-19/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyHRCYXZQTXCLSRU-UHFFFAOYSA-N
MW491.03 g/mol
LogP4.44
Rot. Bonds6

About [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone (PubChem CID 19488938) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
PubChem CID19488938
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1ccc(Cl)c(OCc2csc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1
InChIInChI=1S/C23H23ClN2O4S2/c1-17-7-8-20(24)21(13-17)30-15-18-14-22(31-16-18)23(27)25-9-11-26(12-10-25)32(28,29)19-5-3-2-4-6-19/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyHRCYXZQTXCLSRU-UHFFFAOYSA-N
XLogP4.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19488767
[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone
CID 19503455
azepan-1-yl-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471561
(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491068
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
CID 9354119
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19488703
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxy-4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19497113
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone
CID 19496991
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19503215
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19493022
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxy-4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19497107
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19503143

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone (CID 19488938) is [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone is Cc1ccc(Cl)c(OCc2csc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone?
The InChIKey is HRCYXZQTXCLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c1-17-7-8-20(24)21(13-17)30-15-18-14-22(31-16-18)23(27)25-9-11-26(12-10-25)32(28,29)19-5-3-2-4-6-19/h2-8,13-14,16H,9-12,15H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone has a molecular weight of 491.03 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 19488938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).