N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide

C24H27ClN4O2S — CID 16806775

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O2S/c25-22-8-10-23(11-9-22)32(30,31)27-18-24(21-7-4-12-26-17-21)29-15-13-28(14-16-29)19-20-5-2-1-3-6-20/h1-12,17,24,27H,13-16,18-19H2
InChIKeyKNDRCXDMWBFHSJ-UHFFFAOYSA-N
MW471.03 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide (PubChem CID 16806775) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide
PubChem CID16806775
Molecular FormulaC24H27ClN4O2S
Molecular Weight471.03 g/mol
Exact Mass470.15
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O2S/c25-22-8-10-23(11-9-22)32(30,31)27-18-24(21-7-4-12-26-17-21)29-15-13-28(14-16-29)19-20-5-2-1-3-6-20/h1-12,17,24,27H,13-16,18-19H2
InChIKeyKNDRCXDMWBFHSJ-UHFFFAOYSA-N
XLogP3.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
N-((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 24180454
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
4-chloro-N-[8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)ethyl]octyl]benzenesulfonamide
CID 14986690
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
4-chloro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
CID 6157925
4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinyl}-N-methyl-3-pyridinesulfonamide
CID 1214441
AJ-333/09219002
CID 4118683

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide (CID 16806775) is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide?
The InChIKey is KNDRCXDMWBFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c25-22-8-10-23(11-9-22)32(30,31)27-18-24(21-7-4-12-26-17-21)29-15-13-28(14-16-29)19-20-5-2-1-3-6-20/h1-12,17,24,27H,13-16,18-19H2.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide has a molecular weight of 471.03 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 16806775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).