3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H17N3O4S — CID 170510592

IUPAC3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1cncc(O)c1
InChIInChI=1S/C18H17N3O4S/c1-25-18-5-4-16(8-17(18)14-7-15(22)12-20-11-14)26(23,24)21-10-13-3-2-6-19-9-13/h2-9,11-12,21-22H,10H2,1H3
InChIKeyYMORIWBQMOVKDL-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.34
Rot. Bonds6

About 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 170510592) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID170510592
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1cncc(O)c1
InChIInChI=1S/C18H17N3O4S/c1-25-18-5-4-16(8-17(18)14-7-15(22)12-20-11-14)26(23,24)21-10-13-3-2-6-19-9-13/h2-9,11-12,21-22H,10H2,1H3
InChIKeyYMORIWBQMOVKDL-UHFFFAOYSA-N
XLogP2.34
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
CID 27195572
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
CID 6458014
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
4-ethoxy-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 50747527
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
5-(2,5-dimethoxyphenyl)pyridin-3-ol
CID 53217947
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 170510592) is 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1cncc(O)c1.
What is the InChIKey of 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YMORIWBQMOVKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-18-5-4-16(8-17(18)14-7-15(22)12-20-11-14)26(23,24)21-10-13-3-2-6-19-9-13/h2-9,11-12,21-22H,10H2,1H3.
What are the key properties of 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 170510592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).