2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide

C19H18N2O5S2 — CID 55645155

IUPAC2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H18N2O5S2/c1-27(22,23)18-10-2-3-11-19(18)28(24,25)21-15-8-6-9-17(13-15)26-14-16-7-4-5-12-20-16/h2-13,21H,14H2,1H3
InChIKeyAIEVJSLRPGRUHJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.86
Rot. Bonds7

About 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide

2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide (PubChem CID 55645155) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
PubChem CID55645155
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC Name2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H18N2O5S2/c1-27(22,23)18-10-2-3-11-19(18)28(24,25)21-15-8-6-9-17(13-15)26-14-16-7-4-5-12-20-16/h2-13,21H,14H2,1H3
InChIKeyAIEVJSLRPGRUHJ-UHFFFAOYSA-N
XLogP2.86
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
3-methylsulfonyl-2-nitro-N-[3-(pyridin-2-ylmethoxy)phenyl]aniline
CID 133393426
2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43069632
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
(E)-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]ethenesulfonamide
CID 43069636
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide (CID 55645155) is 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The InChIKey is AIEVJSLRPGRUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c1-27(22,23)18-10-2-3-11-19(18)28(24,25)21-15-8-6-9-17(13-15)26-14-16-7-4-5-12-20-16/h2-13,21H,14H2,1H3.
What are the key properties of 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide has a molecular weight of 418.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 55645155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).