[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

C14H16ClN3O3S2 — CID 110805258

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1
InChIInChI=1S/C14H16ClN3O3S2/c1-16-5-4-11(10-16)14(19)17-6-8-18(9-7-17)23(20,21)13-3-2-12(15)22-13/h2-5,10H,6-9H2,1H3
InChIKeyRJYBNJFIKTYJSL-UHFFFAOYSA-N
MW373.89 g/mol
LogP1.89
Rot. Bonds3

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 110805258) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID110805258
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1
InChIInChI=1S/C14H16ClN3O3S2/c1-16-5-4-11(10-16)14(19)17-6-8-18(9-7-17)23(20,21)13-3-2-12(15)22-13/h2-5,10H,6-9H2,1H3
InChIKeyRJYBNJFIKTYJSL-UHFFFAOYSA-N
XLogP1.89
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243
(2-chloro-5-methylsulfanylphenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768652
6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 27768794
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)methanone
CID 31306259
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805271
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 33170470
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 110805258) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is RJYBNJFIKTYJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-16-5-4-11(10-16)14(19)17-6-8-18(9-7-17)23(20,21)13-3-2-12(15)22-13/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 373.89 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 110805258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).