2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide

C19H18N2O3S — CID 51169894

IUPAC2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H18N2O3S/c1-24-17-12-5-6-13-18(17)25(22,23)21-19(15-9-3-2-4-10-15)16-11-7-8-14-20-16/h2-14,19,21H,1H3
InChIKeyZXMYEAAIPYGLDG-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.16
Rot. Bonds6

About 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide

2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 51169894) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID51169894
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H18N2O3S/c1-24-17-12-5-6-13-18(17)25(22,23)21-19(15-9-3-2-4-10-15)16-11-7-8-14-20-16/h2-14,19,21H,1H3
InChIKeyZXMYEAAIPYGLDG-UHFFFAOYSA-N
XLogP3.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 47065174
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide (CID 51169894) is 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZXMYEAAIPYGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-24-17-12-5-6-13-18(17)25(22,23)21-19(15-9-3-2-4-10-15)16-11-7-8-14-20-16/h2-14,19,21H,1H3.
What are the key properties of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 51169894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).