[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone

C22H21ClN2O4S2 — CID 19503455

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone
SMILESO=C(c1cc(COc2ccc(Cl)cc2)cs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H21ClN2O4S2/c23-18-6-8-19(9-7-18)29-15-17-14-21(30-16-17)22(26)24-10-12-25(13-11-24)31(27,28)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
InChIKeyNOLJSMOGUWZRCV-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.13
Rot. Bonds6

About [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone (PubChem CID 19503455) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone
PubChem CID19503455
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone
SMILESO=C(c1cc(COc2ccc(Cl)cc2)cs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H21ClN2O4S2/c23-18-6-8-19(9-7-18)29-15-17-14-21(30-16-17)22(26)24-10-12-25(13-11-24)31(27,28)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
InChIKeyNOLJSMOGUWZRCV-UHFFFAOYSA-N
XLogP4.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19488938
[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19503399
(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490824
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19503403
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone
CID 19503279
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490964
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2-fluorophenoxy)methyl]thiophen-2-yl]methanone
CID 19495105
(4-benzylpiperidin-1-yl)-[4-[(4-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanone
CID 19484538
[4-[4-[(4-fluorophenoxy)methyl]thiophene-2-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 19469589
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone (CID 19503455) is [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone is O=C(c1cc(COc2ccc(Cl)cc2)cs1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone?
The InChIKey is NOLJSMOGUWZRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c23-18-6-8-19(9-7-18)29-15-17-14-21(30-16-17)22(26)24-10-12-25(13-11-24)31(27,28)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone has a molecular weight of 477.01 g/mol, XLogP of 4.13, 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-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 19503455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).