N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide

C25H31F2N4O2PS — CID 155055613

IUPACN-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide
SMILESCCC1=CCCC=C1c1nc(NS(=O)(=O)c2cccc(N3CCCC(C)C3)n2)ccc1C(F)(F)P
InChIInChI=1S/C25H31F2N4O2PS/c1-3-18-9-4-5-10-19(18)24-20(25(26,27)34)13-14-21(28-24)30-35(32,33)23-12-6-11-22(29-23)31-15-7-8-17(2)16-31/h6,9-14,17H,3-5,7-8,15-16,34H2,1-2H3,(H,28,30)
InChIKeyMGFGOKWHYVAFKY-UHFFFAOYSA-N
MW520.59 g/mol
LogP5.95
Rot. Bonds7

About N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide

N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide (PubChem CID 155055613) has the molecular formula C25H31F2N4O2PS and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide
PubChem CID155055613
Molecular FormulaC25H31F2N4O2PS
Molecular Weight520.59 g/mol
Exact Mass520.19
IUPAC NameN-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide
SMILESCCC1=CCCC=C1c1nc(NS(=O)(=O)c2cccc(N3CCCC(C)C3)n2)ccc1C(F)(F)P
InChIInChI=1S/C25H31F2N4O2PS/c1-3-18-9-4-5-10-19(18)24-20(25(26,27)34)13-14-21(28-24)30-35(32,33)23-12-6-11-22(29-23)31-15-7-8-17(2)16-31/h6,9-14,17H,3-5,7-8,15-16,34H2,1-2H3,(H,28,30)
InChIKeyMGFGOKWHYVAFKY-UHFFFAOYSA-N
XLogP5.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide?
The IUPAC name of N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide (CID 155055613) is N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide is CCC1=CCCC=C1c1nc(NS(=O)(=O)c2cccc(N3CCCC(C)C3)n2)ccc1C(F)(F)P.
What is the InChIKey of N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide?
The InChIKey is MGFGOKWHYVAFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N4O2PS/c1-3-18-9-4-5-10-19(18)24-20(25(26,27)34)13-14-21(28-24)30-35(32,33)23-12-6-11-22(29-23)31-15-7-8-17(2)16-31/h6,9-14,17H,3-5,7-8,15-16,34H2,1-2H3,(H,28,30).
What are the key properties of N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide?
N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide has a molecular weight of 520.59 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 155055613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).