6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide

C16H19ClN4O2S — CID 55874135

IUPAC6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCCCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H19ClN4O2S/c17-15-5-4-14(12-19-15)24(22,23)20-11-13-6-7-18-16(10-13)21-8-2-1-3-9-21/h4-7,10,12,20H,1-3,8-9,11H2
InChIKeyMMLGNEBADONJPB-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.60
Rot. Bonds5

About 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide

6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 55874135) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID55874135
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCCCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H19ClN4O2S/c17-15-5-4-14(12-19-15)24(22,23)20-11-13-6-7-18-16(10-13)21-8-2-1-3-9-21/h4-7,10,12,20H,1-3,8-9,11H2
InChIKeyMMLGNEBADONJPB-UHFFFAOYSA-N
XLogP2.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.60
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

3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
3-methyl-2-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 146025070
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
4-bromo-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913754
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
CID 55873999
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 55873621
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide (CID 55874135) is 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccnc(N2CCCCC2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is MMLGNEBADONJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c17-15-5-4-14(12-19-15)24(22,23)20-11-13-6-7-18-16(10-13)21-8-2-1-3-9-21/h4-7,10,12,20H,1-3,8-9,11H2.
What are the key properties of 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 366.87 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55874135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).