(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H16N2O4S2 — CID 38068353

IUPAC(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16N2O4S2/c18-13-5-2-1-4-12(13)15(19)16-7-9-17(10-8-16)23(20,21)14-6-3-11-22-14/h1-6,11,18H,7-10H2
InChIKeyLVVQEOHQFIGVBI-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.60
Rot. Bonds3

About (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 38068353) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID38068353
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16N2O4S2/c18-13-5-2-1-4-12(13)15(19)16-7-9-17(10-8-16)23(20,21)14-6-3-11-22-14/h1-6,11,18H,7-10H2
InChIKeyLVVQEOHQFIGVBI-UHFFFAOYSA-N
XLogP1.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496437
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 8924804
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 38068353) is (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is LVVQEOHQFIGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c18-13-5-2-1-4-12(13)15(19)16-7-9-17(10-8-16)23(20,21)14-6-3-11-22-14/h1-6,11,18H,7-10H2.
What are the key properties of (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 38068353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).