(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C13H15ClN4O3S2 — CID 19279155

IUPAC(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCn1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C13H15ClN4O3S2/c1-16-9-10(14)12(15-16)13(19)17-4-6-18(7-5-17)23(20,21)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3
InChIKeyKAFXNVIRDZPXIZ-UHFFFAOYSA-N
MW374.88 g/mol
LogP1.28
Rot. Bonds3

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

(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 19279155) has the molecular formula C13H15ClN4O3S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID19279155
Molecular FormulaC13H15ClN4O3S2
Molecular Weight374.88 g/mol
Exact Mass374.03
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCn1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C13H15ClN4O3S2/c1-16-9-10(14)12(15-16)13(19)17-4-6-18(7-5-17)23(20,21)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3
InChIKeyKAFXNVIRDZPXIZ-UHFFFAOYSA-N
XLogP1.28
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 9086144
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one
CID 2551523
(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19478969
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 19560378
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
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(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4801929
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 19279155) is (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is Cn1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is KAFXNVIRDZPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S2/c1-16-9-10(14)12(15-16)13(19)17-4-6-18(7-5-17)23(20,21)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 374.88 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 19279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).