N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline

C19H17N3O3S — CID 172734024

IUPACN-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline
SMILESCOc1ccncc1CN(c1ccccc1)c1ccccc1N=S(=O)=O
InChIInChI=1S/C19H17N3O3S/c1-25-19-11-12-20-13-15(19)14-22(16-7-3-2-4-8-16)18-10-6-5-9-17(18)21-26(23)24/h2-13H,14H2,1H3
InChIKeyIELWJGMQQIBMMX-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.12
Rot. Bonds6

About N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline

N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline (PubChem CID 172734024) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline
PubChem CID172734024
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline
SMILESCOc1ccncc1CN(c1ccccc1)c1ccccc1N=S(=O)=O
InChIInChI=1S/C19H17N3O3S/c1-25-19-11-12-20-13-15(19)14-22(16-7-3-2-4-8-16)18-10-6-5-9-17(18)21-26(23)24/h2-13H,14H2,1H3
InChIKeyIELWJGMQQIBMMX-UHFFFAOYSA-N
XLogP4.12
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline?
The IUPAC name of N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline (CID 172734024) is N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline.
What is the SMILES notation for N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline?
The canonical SMILES for N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline is COc1ccncc1CN(c1ccccc1)c1ccccc1N=S(=O)=O.
What is the InChIKey of N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline?
The InChIKey is IELWJGMQQIBMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-19-11-12-20-13-15(19)14-22(16-7-3-2-4-8-16)18-10-6-5-9-17(18)21-26(23)24/h2-13H,14H2,1H3.
What are the key properties of N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline?
N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline has a molecular weight of 367.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline is sourced from PubChem (CID 172734024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).