4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine

C19H22N2O4S — CID 53189148

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-20-9-10-21(14-17(20)15-5-3-2-4-6-15)26(22,23)16-7-8-18-19(13-16)25-12-11-24-18/h2-8,13,17H,9-12,14H2,1H3
InChIKeyKNFJBFQQXODEJC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.14
Rot. Bonds3

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine (PubChem CID 53189148) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
PubChem CID53189148
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-20-9-10-21(14-17(20)15-5-3-2-4-6-15)26(22,23)16-7-8-18-19(13-16)25-12-11-24-18/h2-8,13,17H,9-12,14H2,1H3
InChIKeyKNFJBFQQXODEJC-UHFFFAOYSA-N
XLogP2.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine
CID 8818673
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766609
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 110097833
(7S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-7-phenyl-1,4-thiazepane
CID 124670839

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine (CID 53189148) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine is CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1c1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine?
The InChIKey is KNFJBFQQXODEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20-9-10-21(14-17(20)15-5-3-2-4-6-15)26(22,23)16-7-8-18-19(13-16)25-12-11-24-18/h2-8,13,17H,9-12,14H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine has a molecular weight of 374.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine is sourced from PubChem (CID 53189148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).