N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide

C24H32Cl2N4O2S — CID 175603662

IUPACN-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide
SMILESCC1CN(CCC2CCC(NS(=O)(=O)c3cccnc3)CC2)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C24H32Cl2N4O2S/c1-18-17-29(14-15-30(18)23-6-2-5-22(25)24(23)26)13-11-19-7-9-20(10-8-19)28-33(31,32)21-4-3-12-27-16-21/h2-6,12,16,18-20,28H,7-11,13-15,17H2,1H3
InChIKeyXOFQRLUKQAEPOL-UHFFFAOYSA-N
MW511.52 g/mol
LogP4.83
Rot. Bonds7

About N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide

N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide (PubChem CID 175603662) has the molecular formula C24H32Cl2N4O2S and a molecular weight of 511.52 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide
PubChem CID175603662
Molecular FormulaC24H32Cl2N4O2S
Molecular Weight511.52 g/mol
Exact Mass510.16
IUPAC NameN-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide
SMILESCC1CN(CCC2CCC(NS(=O)(=O)c3cccnc3)CC2)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C24H32Cl2N4O2S/c1-18-17-29(14-15-30(18)23-6-2-5-22(25)24(23)26)13-11-19-7-9-20(10-8-19)28-33(31,32)21-4-3-12-27-16-21/h2-6,12,16,18-20,28H,7-11,13-15,17H2,1H3
InChIKeyXOFQRLUKQAEPOL-UHFFFAOYSA-N
XLogP4.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704383
3-[4-[2-[(3S)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 156704364
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 156704246
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
N-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyridine-3-sulfonamide
CID 126835110
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide
CID 91910836
3,4-dichloro-N-[4-[2-[4-(2-methoxy-4-phenylphenyl)piperazin-1-yl]ethyl]cyclohexyl]benzenesulfonamide
CID 68905954
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[4-(pyridin-3-ylsulfonylamino)cyclohexyl]carbamate
CID 156563255
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide (CID 175603662) is N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide is CC1CN(CCC2CCC(NS(=O)(=O)c3cccnc3)CC2)CCN1c1cccc(Cl)c1Cl.
What is the InChIKey of N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide?
The InChIKey is XOFQRLUKQAEPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N4O2S/c1-18-17-29(14-15-30(18)23-6-2-5-22(25)24(23)26)13-11-19-7-9-20(10-8-19)28-33(31,32)21-4-3-12-27-16-21/h2-6,12,16,18-20,28H,7-11,13-15,17H2,1H3.
What are the key properties of N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide?
N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide has a molecular weight of 511.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 175603662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).