N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide

C17H17N3O2S — CID 141482671

IUPACN-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3c(N)c2C)cc1
InChIInChI=1S/C17H17N3O2S/c1-11-7-9-13(10-8-11)23(21,22)20-17-12(2)16(18)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H3,18,19,20)
InChIKeyNYJYCIGIIDZXAY-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.23
Rot. Bonds3

About N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide

N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 141482671) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
PubChem CID141482671
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3c(N)c2C)cc1
InChIInChI=1S/C17H17N3O2S/c1-11-7-9-13(10-8-11)23(21,22)20-17-12(2)16(18)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H3,18,19,20)
InChIKeyNYJYCIGIIDZXAY-UHFFFAOYSA-N
XLogP3.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
CID 141482670
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939
4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
CID 71551048
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
CID 166443739
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
4-methyl-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3656930
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide (CID 141482671) is N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3c(N)c2C)cc1.
What is the InChIKey of N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is NYJYCIGIIDZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-7-9-13(10-8-11)23(21,22)20-17-12(2)16(18)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H3,18,19,20).
What are the key properties of N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide?
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 141482671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).