N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide

C13H14N2O2S — CID 110865640

IUPACN-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H14N2O2S/c1-11-5-2-3-6-12(11)9-15-18(16,17)13-7-4-8-14-10-13/h2-8,10,15H,9H2,1H3
InChIKeyNFPXEPTWQPZKMK-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.87
Rot. Bonds4

About N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide

N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 110865640) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID110865640
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H14N2O2S/c1-11-5-2-3-6-12(11)9-15-18(16,17)13-7-4-8-14-10-13/h2-8,10,15H,9H2,1H3
InChIKeyNFPXEPTWQPZKMK-UHFFFAOYSA-N
XLogP1.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469
N-propylpyridine-3-sulfonamide
CID 43258995
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 122275551
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
N-[4-(2-methylphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 90575421
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide (CID 110865640) is N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is NFPXEPTWQPZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-11-5-2-3-6-12(11)9-15-18(16,17)13-7-4-8-14-10-13/h2-8,10,15H,9H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110865640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).