[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C17H19ClN4O3S — CID 47023322

IUPAC[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O3S/c18-13-2-1-3-14(10-13)26(24,25)22-8-6-21(7-9-22)17(23)16-11-15(19-20-16)12-4-5-12/h1-3,10-12H,4-9H2,(H,19,20)
InChIKeyIOHJMJDOMATDEA-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.09
Rot. Bonds4

About [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 47023322) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID47023322
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O3S/c18-13-2-1-3-14(10-13)26(24,25)22-8-6-21(7-9-22)17(23)16-11-15(19-20-16)12-4-5-12/h1-3,10-12H,4-9H2,(H,19,20)
InChIKeyIOHJMJDOMATDEA-UHFFFAOYSA-N
XLogP2.09
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 38418024
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
[1-(3-chlorophenyl)pyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55883003
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
4-(3-chlorophenyl)sulfonyl-N-cyclopropylpiperazine-1-carbothioamide
CID 8745836
(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27163262
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9326993
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55555673
(4-chloro-2-nitrophenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27562395
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55790065

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 47023322) is [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is IOHJMJDOMATDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-14(10-13)26(24,25)22-8-6-21(7-9-22)17(23)16-11-15(19-20-16)12-4-5-12/h1-3,10-12H,4-9H2,(H,19,20).
What are the key properties of [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 394.88 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 47023322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).