N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

C18H22N4O3S — CID 113026115

IUPACN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)cn2)c1
InChIInChI=1S/C18H22N4O3S/c1-14-3-4-15(2)17(11-14)26(24,25)20-18-6-5-16(12-19-18)22-9-7-21(13-23)8-10-22/h3-6,11-13H,7-10H2,1-2H3,(H,19,20)
InChIKeyOQFMIDSVBWPMTM-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.78
Rot. Bonds5

About N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113026115) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113026115
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)cn2)c1
InChIInChI=1S/C18H22N4O3S/c1-14-3-4-15(2)17(11-14)26(24,25)20-18-6-5-16(12-19-18)22-9-7-21(13-23)8-10-22/h3-6,11-13H,7-10H2,1-2H3,(H,19,20)
InChIKeyOQFMIDSVBWPMTM-UHFFFAOYSA-N
XLogP1.78
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.78
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

2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025891
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025908
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113026115) is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)cn2)c1.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OQFMIDSVBWPMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14-3-4-15(2)17(11-14)26(24,25)20-18-6-5-16(12-19-18)22-9-7-21(13-23)8-10-22/h3-6,11-13H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113026115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).