N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide

C30H33N3O4S — CID 58292002

IUPACN-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
SMILESCC1NC(=O)CN(C(=O)C2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)C1c1ccccc1
InChIInChI=1S/C30H33N3O4S/c1-21-29(24-10-6-3-7-11-24)33(20-28(34)31-21)30(35)25-12-16-26(17-13-25)32-38(36,37)27-18-14-23(15-19-27)22-8-4-2-5-9-22/h2-11,14-15,18-19,21,25-26,29,32H,12-13,16-17,20H2,1H3,(H,31,34)
InChIKeyPZWLGQQVVSCCHI-UHFFFAOYSA-N
MW531.68 g/mol
LogP4.28
Rot. Bonds6

About N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide

N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide (PubChem CID 58292002) has the molecular formula C30H33N3O4S and a molecular weight of 531.68 g/mol. Its IUPAC name is N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
PubChem CID58292002
Molecular FormulaC30H33N3O4S
Molecular Weight531.68 g/mol
Exact Mass531.22
IUPAC NameN-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
SMILESCC1NC(=O)CN(C(=O)C2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)C1c1ccccc1
InChIInChI=1S/C30H33N3O4S/c1-21-29(24-10-6-3-7-11-24)33(20-28(34)31-21)30(35)25-12-16-26(17-13-25)32-38(36,37)27-18-14-23(15-19-27)22-8-4-2-5-9-22/h2-11,14-15,18-19,21,25-26,29,32H,12-13,16-17,20H2,1H3,(H,31,34)
InChIKeyPZWLGQQVVSCCHI-UHFFFAOYSA-N
XLogP4.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.68
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate
CID 77478338
4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
CID 71290294
3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
CID 58292072
N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
CID 67130795
methyl 1-[4-[(4-bromophenyl)sulfonylamino]cyclohexanecarbonyl]-5-phenylpyrrolidine-3-carboxylate
CID 58291842
(3R,6R)-6-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 53238039
N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096762
N-[4-(isoindole-2-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 90096563
3-(ethylamino)-4-methyl-N-[4-[(2S)-2-phenylpiperazine-1-carbonyl]cyclohexyl]benzenesulfonamide
CID 53236702
N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 90217101
6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 142032480

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide (CID 58292002) is N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide is CC1NC(=O)CN(C(=O)C2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)C1c1ccccc1.
What is the InChIKey of N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide?
The InChIKey is PZWLGQQVVSCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S/c1-21-29(24-10-6-3-7-11-24)33(20-28(34)31-21)30(35)25-12-16-26(17-13-25)32-38(36,37)27-18-14-23(15-19-27)22-8-4-2-5-9-22/h2-11,14-15,18-19,21,25-26,29,32H,12-13,16-17,20H2,1H3,(H,31,34).
What are the key properties of N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide?
N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide has a molecular weight of 531.68 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 58292002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).