5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide

C18H14ClF2N3O3S — CID 146421712

IUPAC5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(CN(c2cccc(F)n2)S(=O)(=O)c2cnc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H14ClF2N3O3S/c1-27-13-7-5-12(6-8-13)11-24(17-4-2-3-16(20)23-17)28(25,26)14-9-15(19)18(21)22-10-14/h2-10H,11H2,1H3
InChIKeyWMWFWRDKARLTCN-UHFFFAOYSA-N
MW425.84 g/mol
LogP3.81
Rot. Bonds6

About 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide

5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 146421712) has the molecular formula C18H14ClF2N3O3S and a molecular weight of 425.84 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
PubChem CID146421712
Molecular FormulaC18H14ClF2N3O3S
Molecular Weight425.84 g/mol
Exact Mass425.04
IUPAC Name5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(CN(c2cccc(F)n2)S(=O)(=O)c2cnc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H14ClF2N3O3S/c1-27-13-7-5-12(6-8-13)11-24(17-4-2-3-16(20)23-17)28(25,26)14-9-15(19)18(21)22-10-14/h2-10H,11H2,1H3
InChIKeyWMWFWRDKARLTCN-UHFFFAOYSA-N
XLogP3.81
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 146421904
3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022998
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
5-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 170567025
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
3-chloro-2-fluoro-5-methylsulfonylpyridine
CID 177006540
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide (CID 146421712) is 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide is COc1ccc(CN(c2cccc(F)n2)S(=O)(=O)c2cnc(F)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is WMWFWRDKARLTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S/c1-27-13-7-5-12(6-8-13)11-24(17-4-2-3-16(20)23-17)28(25,26)14-9-15(19)18(21)22-10-14/h2-10H,11H2,1H3.
What are the key properties of 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 425.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N-(6-fluoro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 146421712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).