N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide

C20H20ClFN4O3S — CID 146296491

IUPACN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
SMILESCC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H20ClFN4O3S/c1-11(2)19-17(24-13-6-7-23-18(9-13)26-30(3,28)29)10-15(20(27)25-19)14-8-12(21)4-5-16(14)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyQDFIMWPBVIQKDI-UHFFFAOYSA-N
MW450.92 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide

N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide (PubChem CID 146296491) has the molecular formula C20H20ClFN4O3S and a molecular weight of 450.92 g/mol. Its IUPAC name is N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
PubChem CID146296491
Molecular FormulaC20H20ClFN4O3S
Molecular Weight450.92 g/mol
Exact Mass450.09
IUPAC NameN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
SMILESCC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H20ClFN4O3S/c1-11(2)19-17(24-13-6-7-23-18(9-13)26-30(3,28)29)10-15(20(27)25-19)14-8-12(21)4-5-16(14)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyQDFIMWPBVIQKDI-UHFFFAOYSA-N
XLogP4.47
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide (CID 146296491) is N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide is CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
The InChIKey is QDFIMWPBVIQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3S/c1-11(2)19-17(24-13-6-7-23-18(9-13)26-30(3,28)29)10-15(20(27)25-19)14-8-12(21)4-5-16(14)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26).
What are the key properties of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide has a molecular weight of 450.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146296491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).