[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone

C21H19ClN2O3S — CID 1072073

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClN2O3S/c22-17-8-10-18(11-9-17)28(26,27)24-14-12-23(13-15-24)21(25)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2
InChIKeyFXLVZYWUGKXLBN-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.64
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 1072073) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID1072073
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClN2O3S/c22-17-8-10-18(11-9-17)28(26,27)24-14-12-23(13-15-24)21(25)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2
InChIKeyFXLVZYWUGKXLBN-UHFFFAOYSA-N
XLogP3.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 171154796
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 24624421
naphthalen-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26204474
1,3-benzodioxol-4-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55837113
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 108569232
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2710661
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone (CID 1072073) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is FXLVZYWUGKXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c22-17-8-10-18(11-9-17)28(26,27)24-14-12-23(13-15-24)21(25)20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 414.91 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 1072073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).