1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine

C18H21ClN2O3S — CID 113080654

IUPAC1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
SMILESCOc1cc(Cl)c(C)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-14-12-17(18(24-2)13-16(14)19)20-8-10-21(11-9-20)25(22,23)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGMEAJDTZJXNYRS-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.17
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine

1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine (PubChem CID 113080654) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
PubChem CID113080654
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
SMILESCOc1cc(Cl)c(C)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-14-12-17(18(24-2)13-16(14)19)20-8-10-21(11-9-20)25(22,23)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGMEAJDTZJXNYRS-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
(3R)-3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidine-2,5-dione
CID 2419259
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(5-iodo-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 90110466

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine (CID 113080654) is 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine is COc1cc(Cl)c(C)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine?
The InChIKey is GMEAJDTZJXNYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-12-17(18(24-2)13-16(14)19)20-8-10-21(11-9-20)25(22,23)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine?
1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine has a molecular weight of 380.90 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine is sourced from PubChem (CID 113080654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).