N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide

C24H32N4O3S — CID 3240237

IUPACN-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(N(CC(=O)N2CCN(C3CCCCC3)CC2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C24H32N4O3S/c1-20-9-11-22(12-10-20)28(32(30,31)23-8-5-13-25-18-23)19-24(29)27-16-14-26(15-17-27)21-6-3-2-4-7-21/h5,8-13,18,21H,2-4,6-7,14-17,19H2,1H3
InChIKeyDZGOQWQTHHWXQW-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide

N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide (PubChem CID 3240237) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide
PubChem CID3240237
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(N(CC(=O)N2CCN(C3CCCCC3)CC2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C24H32N4O3S/c1-20-9-11-22(12-10-20)28(32(30,31)23-8-5-13-25-18-23)19-24(29)27-16-14-26(15-17-27)21-6-3-2-4-7-21/h5,8-13,18,21H,2-4,6-7,14-17,19H2,1H3
InChIKeyDZGOQWQTHHWXQW-UHFFFAOYSA-N
XLogP3.06
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide (CID 3240237) is N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(N(CC(=O)N2CCN(C3CCCCC3)CC2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is DZGOQWQTHHWXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-20-9-11-22(12-10-20)28(32(30,31)23-8-5-13-25-18-23)19-24(29)27-16-14-26(15-17-27)21-6-3-2-4-7-21/h5,8-13,18,21H,2-4,6-7,14-17,19H2,1H3.
What are the key properties of N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide?
N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 456.61 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 3240237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).