[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

C15H18Cl2N2O3S — CID 9496684

IUPAC[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3S/c1-10-8-12(10)15(20)18-4-6-19(7-5-18)23(21,22)14-9-11(16)2-3-13(14)17/h2-3,9-10,12H,4-8H2,1H3/t10-,12-/m1/s1
InChIKeyREUWVBRDTVCAFU-ZYHUDNBSSA-N
MW377.29 g/mol
LogP2.48
Rot. Bonds3

About [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 9496684) has the molecular formula C15H18Cl2N2O3S and a molecular weight of 377.29 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID9496684
Molecular FormulaC15H18Cl2N2O3S
Molecular Weight377.29 g/mol
Exact Mass376.04
IUPAC Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3S/c1-10-8-12(10)15(20)18-4-6-19(7-5-18)23(21,22)14-9-11(16)2-3-13(14)17/h2-3,9-10,12H,4-8H2,1H3/t10-,12-/m1/s1
InChIKeyREUWVBRDTVCAFU-ZYHUDNBSSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 51151012
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496065
[(1R,2R)-2-methylcyclopropyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370192
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
[(1S,2S)-2-methylcyclopropyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496530
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 3410355
[(1S,2R)-2-methylcyclopropyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925234
2-cyclohexyl-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 38168445
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (CID 9496684) is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is REUWVBRDTVCAFU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3S/c1-10-8-12(10)15(20)18-4-6-19(7-5-18)23(21,22)14-9-11(16)2-3-13(14)17/h2-3,9-10,12H,4-8H2,1H3/t10-,12-/m1/s1.
What are the key properties of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 377.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 9496684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).