3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C24H24N2O4S — CID 134022212

IUPAC3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1COc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N2O4S/c27-24(21-15-20-7-3-4-8-23(20)30-17-21)25-11-13-26(14-12-25)31(28,29)22-10-9-18-5-1-2-6-19(18)16-22/h1-10,16,21H,11-15,17H2
InChIKeyBUIFVVIIQAHOCP-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.92
Rot. Bonds3

About 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 134022212) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID134022212
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1COc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N2O4S/c27-24(21-15-20-7-3-4-8-23(20)30-17-21)25-11-13-26(14-12-25)31(28,29)22-10-9-18-5-1-2-6-19(18)16-22/h1-10,16,21H,11-15,17H2
InChIKeyBUIFVVIIQAHOCP-UHFFFAOYSA-N
XLogP2.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119678248
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 119265307
(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 24585778
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 41105049
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 134022212) is 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(C1COc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is BUIFVVIIQAHOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-24(21-15-20-7-3-4-8-23(20)30-17-21)25-11-13-26(14-12-25)31(28,29)22-10-9-18-5-1-2-6-19(18)16-22/h1-10,16,21H,11-15,17H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 436.53 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 134022212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).