N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide

C20H18ClN3O3S — CID 70702246

IUPACN-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1NC(=O)c1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18ClN3O3S/c1-24(28(26,27)16-9-3-2-4-10-16)14-15-8-7-11-17(21)19(15)23-20(25)18-12-5-6-13-22-18/h2-13H,14H2,1H3,(H,23,25)
InChIKeyCLNYAFMGMAEBFD-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.81
Rot. Bonds6

About N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide

N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide (PubChem CID 70702246) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide
PubChem CID70702246
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1NC(=O)c1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18ClN3O3S/c1-24(28(26,27)16-9-3-2-4-10-16)14-15-8-7-11-17(21)19(15)23-20(25)18-12-5-6-13-22-18/h2-13H,14H2,1H3,(H,23,25)
InChIKeyCLNYAFMGMAEBFD-UHFFFAOYSA-N
XLogP3.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 66553142
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(2,6-dichlorophenyl)acetamide
CID 126328873
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-[2-chloro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 158004002
N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43102261
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167

Frequently Asked Questions

What is the IUPAC name of N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide (CID 70702246) is N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide is CN(Cc1cccc(Cl)c1NC(=O)c1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide?
The InChIKey is CLNYAFMGMAEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-24(28(26,27)16-9-3-2-4-10-16)14-15-8-7-11-17(21)19(15)23-20(25)18-12-5-6-13-22-18/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide?
N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 70702246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).