N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide

C19H23N3O4S — CID 110604584

IUPACN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C19H23N3O4S/c1-15-5-3-4-6-19(15)27(24,25)20-17-13-16(7-8-18(17)26-2)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,9-12H2,1-2H3
InChIKeyZCDDBJJXHNPTMA-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.08
Rot. Bonds6

About N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide

N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide (PubChem CID 110604584) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
PubChem CID110604584
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C19H23N3O4S/c1-15-5-3-4-6-19(15)27(24,25)20-17-13-16(7-8-18(17)26-2)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,9-12H2,1-2H3
InChIKeyZCDDBJJXHNPTMA-UHFFFAOYSA-N
XLogP2.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-methoxy-3-(methylsulfamoylamino)phenyl]piperazine-1-carbaldehyde
CID 110613961
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
CID 110428724
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 110604554
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
2-(3,4-dimethylphenoxy)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]acetamide
CID 110426115
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291945

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide (CID 110604584) is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide is COc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
The InChIKey is ZCDDBJJXHNPTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15-5-3-4-6-19(15)27(24,25)20-17-13-16(7-8-18(17)26-2)22-11-9-21(14-23)10-12-22/h3-8,13-14,20H,9-12H2,1-2H3.
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.08, 6 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-methoxyphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110604584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).