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

C22H23N3O3S — CID 16611947

IUPACN-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17(2)23-21-11-7-8-16-25(21)22(26)18-12-14-20(15-13-18)29(27,28)24(3)19-9-5-4-6-10-19/h4-17H,1-3H3/b23-21+
InChIKeyXJQXLSUEBXCXRA-XTQSDGFTSA-N
MW409.51 g/mol
LogP3.31
Rot. Bonds5

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

N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (PubChem CID 16611947) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
PubChem CID16611947
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17(2)23-21-11-7-8-16-25(21)22(26)18-12-14-20(15-13-18)29(27,28)24(3)19-9-5-4-6-10-19/h4-17H,1-3H3/b23-21+
InChIKeyXJQXLSUEBXCXRA-XTQSDGFTSA-N
XLogP3.31
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611942
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 55505234
[3-(benzenesulfonylmethyl)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 47046962
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
2-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)isoindole-1,3-dione
CID 51328039
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78774991
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (CID 16611947) is N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is CC(C)/N=c1\ccccn1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is XJQXLSUEBXCXRA-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17(2)23-21-11-7-8-16-25(21)22(26)18-12-14-20(15-13-18)29(27,28)24(3)19-9-5-4-6-10-19/h4-17H,1-3H3/b23-21+.
What are the key properties of N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 16611947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).