6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide

C17H20ClN3O3S — CID 55872974

IUPAC6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H20ClN3O3S/c18-17-5-4-16(12-19-17)25(22,23)20-11-14-2-1-3-15(10-14)13-21-6-8-24-9-7-21/h1-5,10,12,20H,6-9,11,13H2
InChIKeyUUNNNLRSXJOASK-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.05
Rot. Bonds6

About 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide

6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 55872974) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID55872974
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H20ClN3O3S/c18-17-5-4-16(12-19-17)25(22,23)20-11-14-2-1-3-15(10-14)13-21-6-8-24-9-7-21/h1-5,10,12,20H,6-9,11,13H2
InChIKeyUUNNNLRSXJOASK-UHFFFAOYSA-N
XLogP2.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CID 55816008
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83014235
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55872975
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
CID 55814511
1-(4-chlorophenyl)sulfonyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 133190487

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide (CID 55872974) is 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is UUNNNLRSXJOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c18-17-5-4-16(12-19-17)25(22,23)20-11-14-2-1-3-15(10-14)13-21-6-8-24-9-7-21/h1-5,10,12,20H,6-9,11,13H2.
What are the key properties of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide?
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 381.89 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55872974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).