3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide

C18H22Cl2N4O2S — CID 55735225

IUPAC3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)CC1
InChIInChI=1S/C18H22Cl2N4O2S/c1-2-23-7-9-24(10-8-23)18-6-3-14(12-21-18)13-22-27(25,26)15-4-5-16(19)17(20)11-15/h3-6,11-12,22H,2,7-10,13H2,1H3
InChIKeyLMYOUUBVAKJYIP-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.01
Rot. Bonds6

About 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide

3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 55735225) has the molecular formula C18H22Cl2N4O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID55735225
Molecular FormulaC18H22Cl2N4O2S
Molecular Weight429.37 g/mol
Exact Mass428.08
IUPAC Name3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)CC1
InChIInChI=1S/C18H22Cl2N4O2S/c1-2-23-7-9-24(10-8-23)18-6-3-14(12-21-18)13-22-27(25,26)15-4-5-16(19)17(20)11-15/h3-6,11-12,22H,2,7-10,13H2,1H3
InChIKeyLMYOUUBVAKJYIP-UHFFFAOYSA-N
XLogP3.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 55703524
2-bromo-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-fluorobenzenesulfonamide
CID 55873107
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011100
4-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133317356
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55911629
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55914778

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 55735225) is 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide is CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)CC1.
What is the InChIKey of 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is LMYOUUBVAKJYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2S/c1-2-23-7-9-24(10-8-23)18-6-3-14(12-21-18)13-22-27(25,26)15-4-5-16(19)17(20)11-15/h3-6,11-12,22H,2,7-10,13H2,1H3.
What are the key properties of 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide?
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 429.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55735225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).