N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C21H14ClF2N3O3S — CID 74539744

IUPACN-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(Cl)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H14ClF2N3O3S/c1-30-21-19(27-31(28,29)20-5-3-14(23)10-17(20)24)9-13(11-26-21)12-2-4-18-15(8-12)16(22)6-7-25-18/h2-11,27H,1H3
InChIKeyGGIKXCKHXAVXQK-UHFFFAOYSA-N
MW461.88 g/mol
LogP5.04
Rot. Bonds5

About N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 74539744) has the molecular formula C21H14ClF2N3O3S and a molecular weight of 461.88 g/mol. Its IUPAC name is N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID74539744
Molecular FormulaC21H14ClF2N3O3S
Molecular Weight461.88 g/mol
Exact Mass461.04
IUPAC NameN-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(Cl)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H14ClF2N3O3S/c1-30-21-19(27-31(28,29)20-5-3-14(23)10-17(20)24)9-13(11-26-21)12-2-4-18-15(8-12)16(22)6-7-25-18/h2-11,27H,1H3
InChIKeyGGIKXCKHXAVXQK-UHFFFAOYSA-N
XLogP5.04
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 74539744) is N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3nccc(Cl)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GGIKXCKHXAVXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O3S/c1-30-21-19(27-31(28,29)20-5-3-14(23)10-17(20)24)9-13(11-26-21)12-2-4-18-15(8-12)16(22)6-7-25-18/h2-11,27H,1H3.
What are the key properties of N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 461.88 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 74539744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).