2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide

C19H18ClN3O3S — CID 133353559

IUPAC2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3S/c20-16-8-3-4-9-17(16)26-13-15-7-2-1-6-14(15)12-23-19-18(27(21,24)25)10-5-11-22-19/h1-11H,12-13H2,(H,22,23)(H2,21,24,25)
InChIKeyXDFIHONOGARNQF-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.57
Rot. Bonds7

About 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide

2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide (PubChem CID 133353559) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide
PubChem CID133353559
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3S/c20-16-8-3-4-9-17(16)26-13-15-7-2-1-6-14(15)12-23-19-18(27(21,24)25)10-5-11-22-19/h1-11H,12-13H2,(H,22,23)(H2,21,24,25)
InChIKeyXDFIHONOGARNQF-UHFFFAOYSA-N
XLogP3.57
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
CID 119333060
2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
2-[(2-chlorophenyl)methoxy]pyridine-3-sulfonyl chloride
CID 112572936
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
2-(2-chlorophenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109429
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide
CID 43342571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide (CID 133353559) is 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1NCc1ccccc1COc1ccccc1Cl.
What is the InChIKey of 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is XDFIHONOGARNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-16-8-3-4-9-17(16)26-13-15-7-2-1-6-14(15)12-23-19-18(27(21,24)25)10-5-11-22-19/h1-11H,12-13H2,(H,22,23)(H2,21,24,25).
What are the key properties of 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide?
2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 403.89 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133353559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).