(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H15BrN2O3S2 — CID 38068388

IUPAC(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H15BrN2O3S2/c16-13-4-1-3-12(11-13)15(19)17-6-8-18(9-7-17)23(20,21)14-5-2-10-22-14/h1-5,10-11H,6-9H2
InChIKeyOGGMKRFYOGBZQX-UHFFFAOYSA-N
MW415.33 g/mol
LogP2.66
Rot. Bonds3

About (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 38068388) has the molecular formula C15H15BrN2O3S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID38068388
Molecular FormulaC15H15BrN2O3S2
Molecular Weight415.33 g/mol
Exact Mass413.97
IUPAC Name(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H15BrN2O3S2/c16-13-4-1-3-12(11-13)15(19)17-6-8-18(9-7-17)23(20,21)14-5-2-10-22-14/h1-5,10-11H,6-9H2
InChIKeyOGGMKRFYOGBZQX-UHFFFAOYSA-N
XLogP2.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 34518015
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
2-(4-bromophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 26868722
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 27829290
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
(4,5-dimethylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17024355

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 38068388) is (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is OGGMKRFYOGBZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S2/c16-13-4-1-3-12(11-13)15(19)17-6-8-18(9-7-17)23(20,21)14-5-2-10-22-14/h1-5,10-11H,6-9H2.
What are the key properties of (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 415.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 38068388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).