N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide

C18H29N3O3S — CID 55565914

IUPACN-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-19(16-6-4-3-5-7-16)25(22,23)21-14-12-20(13-15-21)17-8-10-18(24-2)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyIWWBFBUTCSODGO-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.33
Rot. Bonds5

About N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide

N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 55565914) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide
PubChem CID55565914
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-19(16-6-4-3-5-7-16)25(22,23)21-14-12-20(13-15-21)17-8-10-18(24-2)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyIWWBFBUTCSODGO-UHFFFAOYSA-N
XLogP2.33
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 46566639
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 55625942
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-(4-methoxyphenyl)piperidine
CID 10130315
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92679537
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756188
N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
CID 55626277
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-[(2S)-butan-2-yl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 97263321

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide (CID 55565914) is N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide is COc1ccc(N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is IWWBFBUTCSODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-19(16-6-4-3-5-7-16)25(22,23)21-14-12-20(13-15-21)17-8-10-18(24-2)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3.
What are the key properties of N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide?
N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55565914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).