1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine

C27H25ClN2O2S — CID 46705014

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H25ClN2O2S/c28-24-15-13-23(14-16-24)27(22-8-2-1-3-9-22)29-17-19-30(20-18-29)33(31,32)26-12-6-10-21-7-4-5-11-25(21)26/h1-16,27H,17-20H2
InChIKeyLOJPBHANJZJWOT-UHFFFAOYSA-N
MW477.03 g/mol
LogP5.59
Rot. Bonds5

About 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine

1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine (PubChem CID 46705014) has the molecular formula C27H25ClN2O2S and a molecular weight of 477.03 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine
PubChem CID46705014
Molecular FormulaC27H25ClN2O2S
Molecular Weight477.03 g/mol
Exact Mass476.13
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H25ClN2O2S/c28-24-15-13-23(14-16-24)27(22-8-2-1-3-9-22)29-17-19-30(20-18-29)33(31,32)26-12-6-10-21-7-4-5-11-25(21)26/h1-16,27H,17-20H2
InChIKeyLOJPBHANJZJWOT-UHFFFAOYSA-N
XLogP5.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.03
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine (CID 46705014) is 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine is O=S(=O)(c1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine?
The InChIKey is LOJPBHANJZJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O2S/c28-24-15-13-23(14-16-24)27(22-8-2-1-3-9-22)29-17-19-30(20-18-29)33(31,32)26-12-6-10-21-7-4-5-11-25(21)26/h1-16,27H,17-20H2.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine?
1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine has a molecular weight of 477.03 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine is sourced from PubChem (CID 46705014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).