2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide

C34H24F2N4O4S2 — CID 161272162

IUPAC2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)c1ccc(F)cc1F.O=S(=O)(Nc1cccc2cnccc12)c1ccc2ccccc2c1
InChIInChI=1S/C19H14N2O2S.C15H10F2N2O2S/c22-24(23,17-9-8-14-4-1-2-5-15(14)12-17)21-19-7-3-6-16-13-20-11-10-18(16)19;16-11-4-5-15(13(17)8-11)22(20,21)19-14-3-1-2-10-9-18-7-6-12(10)14/h1-13,21H;1-9,19H
InChIKeyVDYQTMVXGJWGPY-UHFFFAOYSA-N
MW654.72 g/mol
LogP7.50
Rot. Bonds6

About 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide

2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide (PubChem CID 161272162) has the molecular formula C34H24F2N4O4S2 and a molecular weight of 654.72 g/mol. Its IUPAC name is 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide
PubChem CID161272162
Molecular FormulaC34H24F2N4O4S2
Molecular Weight654.72 g/mol
Exact Mass654.12
IUPAC Name2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)c1ccc(F)cc1F.O=S(=O)(Nc1cccc2cnccc12)c1ccc2ccccc2c1
InChIInChI=1S/C19H14N2O2S.C15H10F2N2O2S/c22-24(23,17-9-8-14-4-1-2-5-15(14)12-17)21-19-7-3-6-16-13-20-11-10-18(16)19;16-11-4-5-15(13(17)8-11)22(20,21)19-14-3-1-2-10-9-18-7-6-12(10)14/h1-13,21H;1-9,19H
InChIKeyVDYQTMVXGJWGPY-UHFFFAOYSA-N
XLogP7.50
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.72
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
CID 81235485
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide?
The IUPAC name of 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide (CID 161272162) is 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide?
The canonical SMILES for 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide is O=S(=O)(Nc1cccc2cnccc12)c1ccc(F)cc1F.O=S(=O)(Nc1cccc2cnccc12)c1ccc2ccccc2c1.
What is the InChIKey of 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide?
The InChIKey is VDYQTMVXGJWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S.C15H10F2N2O2S/c22-24(23,17-9-8-14-4-1-2-5-15(14)12-17)21-19-7-3-6-16-13-20-11-10-18(16)19;16-11-4-5-15(13(17)8-11)22(20,21)19-14-3-1-2-10-9-18-7-6-12(10)14/h1-13,21H;1-9,19H.
What are the key properties of 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide?
2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide has a molecular weight of 654.72 g/mol, XLogP of 7.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 161272162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).