N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide

C22H33N3O3S — CID 67393705

IUPACN-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCC(C(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C22H33N3O3S/c1-17-5-2-3-8-21(17)29(27,28)23-19-11-9-18(10-12-19)22(26)25-15-13-24(14-16-25)20-6-4-7-20/h2-3,5,8,18-20,23H,4,6-7,9-16H2,1H3
InChIKeyCTKNKMHEUVHBLA-UHFFFAOYSA-N
MW419.59 g/mol
LogP2.53
Rot. Bonds5

About N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide

N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 67393705) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
PubChem CID67393705
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCC(C(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C22H33N3O3S/c1-17-5-2-3-8-21(17)29(27,28)23-19-11-9-18(10-12-19)22(26)25-15-13-24(14-16-25)20-6-4-7-20/h2-3,5,8,18-20,23H,4,6-7,9-16H2,1H3
InChIKeyCTKNKMHEUVHBLA-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155
N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67392962
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 67393352
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide
CID 57430376
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
CID 110822198
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 68596509
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 68595891

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide (CID 67393705) is N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CCC(C(=O)N2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is CTKNKMHEUVHBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-17-5-2-3-8-21(17)29(27,28)23-19-11-9-18(10-12-19)22(26)25-15-13-24(14-16-25)20-6-4-7-20/h2-3,5,8,18-20,23H,4,6-7,9-16H2,1H3.
What are the key properties of N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide?
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 419.59 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 67393705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).