1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine

C21H21ClN2O3S — CID 1296699

IUPAC1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C21H21ClN2O3S/c1-27-20-10-11-21(17-7-3-2-6-16(17)20)28(25,26)24-14-12-23(13-15-24)19-9-5-4-8-18(19)22/h2-11H,12-15H2,1H3
InChIKeyLMGUIRXJELTZPI-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.01
Rot. Bonds4

About 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine

1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine (PubChem CID 1296699) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
PubChem CID1296699
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C21H21ClN2O3S/c1-27-20-10-11-21(17-7-3-2-6-16(17)20)28(25,26)24-14-12-23(13-15-24)19-9-5-4-8-18(19)22/h2-11H,12-15H2,1H3
InChIKeyLMGUIRXJELTZPI-UHFFFAOYSA-N
XLogP4.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 100671510
1-(2-chlorophenyl)-4-(2-methoxy-4-nitrophenyl)sulfonylpiperazine
CID 39631506
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 2178853
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113080892
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
(3aR,6aS)-5-(4-methoxynaphthalen-1-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665313
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine (CID 1296699) is 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The InChIKey is LMGUIRXJELTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-27-20-10-11-21(17-7-3-2-6-16(17)20)28(25,26)24-14-12-23(13-15-24)19-9-5-4-8-18(19)22/h2-11H,12-15H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine has a molecular weight of 416.93 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine is sourced from PubChem (CID 1296699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).