4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide

C18H17N3O3S — CID 166384915

IUPAC4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(NCc2cccc(Oc3ccccc3)c2)ccn1
InChIInChI=1S/C18H17N3O3S/c19-25(22,23)18-12-15(9-10-20-18)21-13-14-5-4-8-17(11-14)24-16-6-2-1-3-7-16/h1-12H,13H2,(H,20,21)(H2,19,22,23)
InChIKeyMNQJDVYGRKWJJQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.13
Rot. Bonds6

About 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide

4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide (PubChem CID 166384915) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide
PubChem CID166384915
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(NCc2cccc(Oc3ccccc3)c2)ccn1
InChIInChI=1S/C18H17N3O3S/c19-25(22,23)18-12-15(9-10-20-18)21-13-14-5-4-8-17(11-14)24-16-6-2-1-3-7-16/h1-12H,13H2,(H,20,21)(H2,19,22,23)
InChIKeyMNQJDVYGRKWJJQ-UHFFFAOYSA-N
XLogP3.13
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 86024884
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CID 126128104
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
2-hydroxy-4-[(3-phenoxyphenyl)methylamino]benzonitrile
CID 58685862
N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-phenoxyaniline
CID 141060077
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
3-phenoxy-N-(pyridin-2-ylmethyl)aniline
CID 61369486
CID 163958367
CID 163958367
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide?
The IUPAC name of 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide (CID 166384915) is 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide?
The canonical SMILES for 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide is NS(=O)(=O)c1cc(NCc2cccc(Oc3ccccc3)c2)ccn1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide?
The InChIKey is MNQJDVYGRKWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-25(22,23)18-12-15(9-10-20-18)21-13-14-5-4-8-17(11-14)24-16-6-2-1-3-7-16/h1-12H,13H2,(H,20,21)(H2,19,22,23).
What are the key properties of 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide?
4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 166384915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).