1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

C19H22N2O3S — CID 11631819

IUPAC1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)OCCC2N1CCNCC1
InChIInChI=1S/C19H22N2O3S/c22-25(23,15-4-2-1-3-5-15)16-6-7-17-18(8-13-24-19(17)14-16)21-11-9-20-10-12-21/h1-7,14,18,20H,8-13H2
InChIKeyUSWXZGSONCJPGJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.25
Rot. Bonds3

About 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine

1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (PubChem CID 11631819) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.

Molecular Properties

Compound Name1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
PubChem CID11631819
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)OCCC2N1CCNCC1
InChIInChI=1S/C19H22N2O3S/c22-25(23,15-4-2-1-3-5-15)16-6-7-17-18(8-13-24-19(17)14-16)21-11-9-20-10-12-21/h1-7,14,18,20H,8-13H2
InChIKeyUSWXZGSONCJPGJ-UHFFFAOYSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The IUPAC name of 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine (CID 11631819) is 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine.
What is the SMILES notation for 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The canonical SMILES for 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is O=S(=O)(c1ccccc1)c1ccc2c(c1)OCCC2N1CCNCC1.
What is the InChIKey of 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
The InChIKey is USWXZGSONCJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-25(23,15-4-2-1-3-5-15)16-6-7-17-18(8-13-24-19(17)14-16)21-11-9-20-10-12-21/h1-7,14,18,20H,8-13H2.
What are the key properties of 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine?
1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine has a molecular weight of 358.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]piperazine is sourced from PubChem (CID 11631819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).