N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide

C17H22N4O3S — CID 133298461

IUPACN-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1
InChIInChI=1S/C17H22N4O3S/c1-18-25(22,23)16-6-7-17(20-13-16)19-12-14-2-4-15(5-3-14)21-8-10-24-11-9-21/h2-7,13,18H,8-12H2,1H3,(H,19,20)
InChIKeyAPWFDCWHXUJIMV-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.44
Rot. Bonds6

About N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide

N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide (PubChem CID 133298461) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
PubChem CID133298461
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1
InChIInChI=1S/C17H22N4O3S/c1-18-25(22,23)16-6-7-17(20-13-16)19-12-14-2-4-15(5-3-14)21-8-10-24-11-9-21/h2-7,13,18H,8-12H2,1H3,(H,19,20)
InChIKeyAPWFDCWHXUJIMV-UHFFFAOYSA-N
XLogP1.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133346456
N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
6-(methylamino)-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83023693
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
CID 102674921
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide (CID 133298461) is N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1.
What is the InChIKey of N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide?
The InChIKey is APWFDCWHXUJIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-18-25(22,23)16-6-7-17(20-13-16)19-12-14-2-4-15(5-3-14)21-8-10-24-11-9-21/h2-7,13,18H,8-12H2,1H3,(H,19,20).
What are the key properties of N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide?
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133298461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).