4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

C18H22N4O3S — CID 113011184

IUPAC4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-15-3-6-17(7-4-15)26(24,25)20-16-5-8-18(19-13-16)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,2,9-12H2,1H3
InChIKeyQFNRXCLLTDXRHV-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.72
Rot. Bonds6

About 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 113011184) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID113011184
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-15-3-6-17(7-4-15)26(24,25)20-16-5-8-18(19-13-16)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,2,9-12H2,1H3
InChIKeyQFNRXCLLTDXRHV-UHFFFAOYSA-N
XLogP1.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011203
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011206
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 42850219
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde
CID 102546827
N-[6-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 69144677

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 113011184) is 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1.
What is the InChIKey of 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QFNRXCLLTDXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-15-3-6-17(7-4-15)26(24,25)20-16-5-8-18(19-13-16)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,2,9-12H2,1H3.
What are the key properties of 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).