(2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C10H12Cl2N2O3S2 — CID 47122998

IUPAC(2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H12Cl2N2O3S2/c1-19(16,17)14-4-2-13(3-5-14)10(15)7-6-8(11)18-9(7)12/h6H,2-5H2,1H3
InChIKeyNTYHJOXIDLLZMU-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.77
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 47122998) has the molecular formula C10H12Cl2N2O3S2 and a molecular weight of 343.26 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID47122998
Molecular FormulaC10H12Cl2N2O3S2
Molecular Weight343.26 g/mol
Exact Mass341.97
IUPAC Name(2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H12Cl2N2O3S2/c1-19(16,17)14-4-2-13(3-5-14)10(15)7-6-8(11)18-9(7)12/h6H,2-5H2,1H3
InChIKeyNTYHJOXIDLLZMU-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 47122998) is (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is NTYHJOXIDLLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S2/c1-19(16,17)14-4-2-13(3-5-14)10(15)7-6-8(11)18-9(7)12/h6H,2-5H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 343.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47122998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).