[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C16H17FN2O3S2 — CID 4807256

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C16H17FN2O3S2/c1-12-6-7-14(23-12)16(20)18-8-10-19(11-9-18)24(21,22)15-5-3-2-4-13(15)17/h2-7H,8-11H2,1H3
InChIKeyNWQLYEMZOOAABV-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.34
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 4807256) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID4807256
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C16H17FN2O3S2/c1-12-6-7-14(23-12)16(20)18-8-10-19(11-9-18)24(21,22)15-5-3-2-4-13(15)17/h2-7H,8-11H2,1H3
InChIKeyNWQLYEMZOOAABV-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55913825
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 9086285
2-[4-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 46407567
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 27163251
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 52719292
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807276
N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 60538231
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 8925286
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 9192798
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
6-chloro-7-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53064765
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 26204747

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 4807256) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is NWQLYEMZOOAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c1-12-6-7-14(23-12)16(20)18-8-10-19(11-9-18)24(21,22)15-5-3-2-4-13(15)17/h2-7H,8-11H2,1H3.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 4807256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).