1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide

C22H29ClN4O2S — CID 11539651

IUPAC1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C22H29ClN4O2S/c23-20-7-5-18(6-8-20)17-30(28,29)25-16-19-9-10-24-22(15-19)27-13-11-26(12-14-27)21-3-1-2-4-21/h5-10,15,21,25H,1-4,11-14,16-17H2
InChIKeyGUNNVICDFNVIGA-UHFFFAOYSA-N
MW449.02 g/mol
LogP3.42
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide (PubChem CID 11539651) has the molecular formula C22H29ClN4O2S and a molecular weight of 449.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide
PubChem CID11539651
Molecular FormulaC22H29ClN4O2S
Molecular Weight449.02 g/mol
Exact Mass448.17
IUPAC Name1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C22H29ClN4O2S/c23-20-7-5-18(6-8-20)17-30(28,29)25-16-19-9-10-24-22(15-19)27-13-11-26(12-14-27)21-3-1-2-4-21/h5-10,15,21,25H,1-4,11-14,16-17H2
InChIKeyGUNNVICDFNVIGA-UHFFFAOYSA-N
XLogP3.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide (CID 11539651) is 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccnc(N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide?
The InChIKey is GUNNVICDFNVIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2S/c23-20-7-5-18(6-8-20)17-30(28,29)25-16-19-9-10-24-22(15-19)27-13-11-26(12-14-27)21-3-1-2-4-21/h5-10,15,21,25H,1-4,11-14,16-17H2.
What are the key properties of 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide has a molecular weight of 449.02 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 11539651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).