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

C17H20N4O4S — CID 113011180

IUPACN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C17H20N4O4S/c1-25-15-3-5-16(6-4-15)26(23,24)19-14-2-7-17(18-12-14)21-10-8-20(13-22)9-11-21/h2-7,12-13,19H,8-11H2,1H3
InChIKeyBOQIQQGTPFOMGU-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.17
Rot. Bonds6

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

N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 113011180) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID113011180
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C17H20N4O4S/c1-25-15-3-5-16(6-4-15)26(23,24)19-14-2-7-17(18-12-14)21-10-8-20(13-22)9-11-21/h2-7,12-13,19H,8-11H2,1H3
InChIKeyBOQIQQGTPFOMGU-UHFFFAOYSA-N
XLogP1.17
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011206
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113015711
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 42850219

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 113011180) is N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)nc2)cc1.
What is the InChIKey of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is BOQIQQGTPFOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-25-15-3-5-16(6-4-15)26(23,24)19-14-2-7-17(18-12-14)21-10-8-20(13-22)9-11-21/h2-7,12-13,19H,8-11H2,1H3.
What are the key properties of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113011180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).