(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H19FN2O3S2 — CID 17191263

IUPAC(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C17H19FN2O3S2/c1-2-15-11-13(12-24-15)17(21)19-7-9-20(10-8-19)25(22,23)16-5-3-14(18)4-6-16/h3-6,11-12H,2,7-10H2,1H3
InChIKeyBZCJJOXLKWEHNX-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.60
Rot. Bonds4

About (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17191263) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID17191263
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C17H19FN2O3S2/c1-2-15-11-13(12-24-15)17(21)19-7-9-20(10-8-19)25(22,23)16-5-3-14(18)4-6-16/h3-6,11-12H,2,7-10H2,1H3
InChIKeyBZCJJOXLKWEHNX-UHFFFAOYSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
methyl 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 4825564
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722
[4-(aminomethyl)phenyl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119274730
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 31793755
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 2664177
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 126477329
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 119696003
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 8924723
(4-fluorophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 8698232

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 17191263) is (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BZCJJOXLKWEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-2-15-11-13(12-24-15)17(21)19-7-9-20(10-8-19)25(22,23)16-5-3-14(18)4-6-16/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17191263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).