1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine

C21H28N2O3S — CID 1151854

IUPAC1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18(8-9-19-6-4-3-5-7-19)22-14-16-23(17-15-22)27(24,25)21-12-10-20(26-2)11-13-21/h3-7,10-13,18H,8-9,14-17H2,1-2H3/t18-/m1/s1
InChIKeyDCLQUQIHHRFRJL-GOSISDBHSA-N
MW388.53 g/mol
LogP3.02
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine

1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine (PubChem CID 1151854) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
PubChem CID1151854
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18(8-9-19-6-4-3-5-7-19)22-14-16-23(17-15-22)27(24,25)21-12-10-20(26-2)11-13-21/h3-7,10-13,18H,8-9,14-17H2,1-2H3/t18-/m1/s1
InChIKeyDCLQUQIHHRFRJL-GOSISDBHSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
1-(benzenesulfonyl)-4-(4-phenylbutan-2-yl)piperazine;oxalic acid
CID 2901913
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
1-methylsulfonyl-4-(4-phenylbutan-2-yl)piperazine;oxalic acid
CID 2901582
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8899881
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
1-(benzenesulfonyl)-4-[(2S)-4-phenylbutan-2-yl]piperazin-4-ium
CID 6971223
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine (CID 1151854) is 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine is COc1ccc(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The InChIKey is DCLQUQIHHRFRJL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18(8-9-19-6-4-3-5-7-19)22-14-16-23(17-15-22)27(24,25)21-12-10-20(26-2)11-13-21/h3-7,10-13,18H,8-9,14-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine has a molecular weight of 388.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine is sourced from PubChem (CID 1151854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).