N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide

C17H15ClN4O2S2 — CID 133387641

IUPACN-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCNc1cc(C#N)c2cc(Cl)ccc2n1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H15ClN4O2S2/c1-22(26(23,24)17-3-2-8-25-17)7-6-20-16-9-12(11-19)14-10-13(18)4-5-15(14)21-16/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyADRITQZLHAXAAP-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.55
Rot. Bonds6

About N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide

N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 133387641) has the molecular formula C17H15ClN4O2S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID133387641
Molecular FormulaC17H15ClN4O2S2
Molecular Weight406.92 g/mol
Exact Mass406.03
IUPAC NameN-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCNc1cc(C#N)c2cc(Cl)ccc2n1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H15ClN4O2S2/c1-22(26(23,24)17-3-2-8-25-17)7-6-20-16-9-12(11-19)14-10-13(18)4-5-15(14)21-16/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyADRITQZLHAXAAP-UHFFFAOYSA-N
XLogP3.55
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide (CID 133387641) is N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide is CN(CCNc1cc(C#N)c2cc(Cl)ccc2n1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is ADRITQZLHAXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S2/c1-22(26(23,24)17-3-2-8-25-17)7-6-20-16-9-12(11-19)14-10-13(18)4-5-15(14)21-16/h2-5,8-10H,6-7H2,1H3,(H,20,21).
What are the key properties of N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 406.92 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 133387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).