N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide

C18H16N2O3S — CID 801380

IUPACN-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C18H16N2O3S/c1-14-11-12-19-18(13-14)20-24(21,22)17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13H,1H3,(H,19,20)
InChIKeyURCWAYPWBTUUJV-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.98
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide

N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide (PubChem CID 801380) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
PubChem CID801380
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C18H16N2O3S/c1-14-11-12-19-18(13-14)20-24(21,22)17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13H,1H3,(H,19,20)
InChIKeyURCWAYPWBTUUJV-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hexahydro quinoline derivative 1
CID 121325265
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide (CID 801380) is N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
The InChIKey is URCWAYPWBTUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-14-11-12-19-18(13-14)20-24(21,22)17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13H,1H3,(H,19,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 801380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).