2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide

C24H25N5O4S2 — CID 25167913

IUPAC2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccnc3ccc(-c4cnc(N)c(S(=O)(=O)N(C)C)c4)cc23)c1
InChIInChI=1S/C24H25N5O4S2/c1-28(2)34(30,31)19-7-5-6-17(12-19)20-10-11-26-22-9-8-16(13-21(20)22)18-14-23(24(25)27-15-18)35(32,33)29(3)4/h5-15H,1-4H3,(H2,25,27)
InChIKeyFLYSMFKHOQLTGX-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.05
Rot. Bonds6

About 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide

2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 25167913) has the molecular formula C24H25N5O4S2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID25167913
Molecular FormulaC24H25N5O4S2
Molecular Weight511.63 g/mol
Exact Mass511.13
IUPAC Name2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccnc3ccc(-c4cnc(N)c(S(=O)(=O)N(C)C)c4)cc23)c1
InChIInChI=1S/C24H25N5O4S2/c1-28(2)34(30,31)19-7-5-6-17(12-19)20-10-11-26-22-9-8-16(13-21(20)22)18-14-23(24(25)27-15-18)35(32,33)29(3)4/h5-15H,1-4H3,(H2,25,27)
InChIKeyFLYSMFKHOQLTGX-UHFFFAOYSA-N
XLogP3.05
TPSA126.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide (CID 25167913) is 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cccc(-c2ccnc3ccc(-c4cnc(N)c(S(=O)(=O)N(C)C)c4)cc23)c1.
What is the InChIKey of 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is FLYSMFKHOQLTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S2/c1-28(2)34(30,31)19-7-5-6-17(12-19)20-10-11-26-22-9-8-16(13-21(20)22)18-14-23(24(25)27-15-18)35(32,33)29(3)4/h5-15H,1-4H3,(H2,25,27).
What are the key properties of 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide?
2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 511.63 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 25167913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).