cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

C22H28N2O3S — CID 42625370

IUPACcyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCCC2)CCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O3S/c1-17-16-23(22(25)19-9-3-2-4-10-19)14-15-24(17)28(26,27)21-13-7-11-18-8-5-6-12-20(18)21/h5-8,11-13,17,19H,2-4,9-10,14-16H2,1H3
InChIKeyHHPMEXAKTRNDQM-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.64
Rot. Bonds3

About cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 42625370) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID42625370
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Namecyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCCC2)CCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O3S/c1-17-16-23(22(25)19-9-3-2-4-10-19)14-15-24(17)28(26,27)21-13-7-11-18-8-5-6-12-20(18)21/h5-8,11-13,17,19H,2-4,9-10,14-16H2,1H3
InChIKeyHHPMEXAKTRNDQM-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 ≤ 500400.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(3-(naphthalen-1-ylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 44582884
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 3868445
Cyclohexyl(2,2-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 24944801
(S)-3-Methyl-2-(naphthalene-1-sulfonylamino)-pentanoic acid ((S)-1-benzyl-2-oxo-ethyl)-amide
CID 44356399
N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
CID 2738666
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10619437
N-methyl-N-[(2R)-4-[(3S)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 11793826
N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide
CID 11848949
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)-2-(trifluoromethyl)piperazin-1-yl)methanone
CID 24945068

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (CID 42625370) is cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is CC1CN(C(=O)C2CCCCC2)CCN1S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HHPMEXAKTRNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-16-23(22(25)19-9-3-2-4-10-19)14-15-24(17)28(26,27)21-13-7-11-18-8-5-6-12-20(18)21/h5-8,11-13,17,19H,2-4,9-10,14-16H2,1H3.
What are the key properties of cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 400.54 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 cyclohexyl-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 42625370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).