N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

C23H25N3O4S — CID 16611942

IUPACN-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1
InChIInChI=1S/C23H25N3O4S/c1-17(2)24-22-11-7-8-16-26(22)23(27)18-12-14-19(15-13-18)31(28,29)25(3)20-9-5-6-10-21(20)30-4/h5-17H,1-4H3/b24-22+
InChIKeyQRJXAWAOYOGNOG-ZNTNEXAZSA-N
MW439.54 g/mol
LogP3.32
Rot. Bonds6

About N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (PubChem CID 16611942) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
PubChem CID16611942
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1
InChIInChI=1S/C23H25N3O4S/c1-17(2)24-22-11-7-8-16-26(22)23(27)18-12-14-19(15-13-18)31(28,29)25(3)20-9-5-6-10-21(20)30-4/h5-17H,1-4H3/b24-22+
InChIKeyQRJXAWAOYOGNOG-ZNTNEXAZSA-N
XLogP3.32
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611947
N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 56537908
N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119403580
2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 18286787
N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 56535843
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4599949
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 55505234
[(2S)-1-anilino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595310

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (CID 16611942) is N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is QRJXAWAOYOGNOG-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-17(2)24-22-11-7-8-16-26(22)23(27)18-12-14-19(15-13-18)31(28,29)25(3)20-9-5-6-10-21(20)30-4/h5-17H,1-4H3/b24-22+.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 16611942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).