N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide

C20H19N3O3S — CID 58896333

IUPACN-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15(24)16-5-7-18(8-6-16)23-27(25,26)20-11-9-17(10-12-20)22-14-19-4-2-3-13-21-19/h2-13,22-23H,14H2,1H3
InChIKeyWHZQXMQGTAVHCN-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.70
Rot. Bonds7

About N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide

N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide (PubChem CID 58896333) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
PubChem CID58896333
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15(24)16-5-7-18(8-6-16)23-27(25,26)20-11-9-17(10-12-20)22-14-19-4-2-3-13-21-19/h2-13,22-23H,14H2,1H3
InChIKeyWHZQXMQGTAVHCN-UHFFFAOYSA-N
XLogP3.70
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060862
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide (CID 58896333) is N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3ccccn3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
The InChIKey is WHZQXMQGTAVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15(24)16-5-7-18(8-6-16)23-27(25,26)20-11-9-17(10-12-20)22-14-19-4-2-3-13-21-19/h2-13,22-23H,14H2,1H3.
What are the key properties of N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide?
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 58896333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).