4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide

C20H20N2O3S — CID 169372850

IUPAC4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N2O3S/c1-16-8-10-20(11-9-16)26(23,24)22-18-6-4-7-19(15-18)25-14-12-17-5-2-3-13-21-17/h2-11,13,15,22H,12,14H2,1H3
InChIKeyDFRLUYOJPGQAEB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.81
Rot. Bonds7

About 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide

4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide (PubChem CID 169372850) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
PubChem CID169372850
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N2O3S/c1-16-8-10-20(11-9-16)26(23,24)22-18-6-4-7-19(15-18)25-14-12-17-5-2-3-13-21-17/h2-11,13,15,22H,12,14H2,1H3
InChIKeyDFRLUYOJPGQAEB-UHFFFAOYSA-N
XLogP3.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide (CID 169372850) is 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccn3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide?
The InChIKey is DFRLUYOJPGQAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-16-8-10-20(11-9-16)26(23,24)22-18-6-4-7-19(15-18)25-14-12-17-5-2-3-13-21-17/h2-11,13,15,22H,12,14H2,1H3.
What are the key properties of 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide?
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 169372850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).