N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide

C24H23N3O2S — CID 141482670

IUPACN-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2N)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-17-10-12-18(13-11-17)22-23(25)20-6-4-5-7-21(20)26-24(22)27-30(28,29)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3,(H3,25,26,27)
InChIKeyWIPHNTCMUBZZNQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.16
Rot. Bonds5

About N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide

N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 141482670) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
PubChem CID141482670
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2N)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-17-10-12-18(13-11-17)22-23(25)20-6-4-5-7-21(20)26-24(22)27-30(28,29)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3,(H3,25,26,27)
InChIKeyWIPHNTCMUBZZNQ-UHFFFAOYSA-N
XLogP5.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide (CID 141482670) is N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide is CCc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2N)cc1.
What is the InChIKey of N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is WIPHNTCMUBZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-17-10-12-18(13-11-17)22-23(25)20-6-4-5-7-21(20)26-24(22)27-30(28,29)19-14-8-16(2)9-15-19/h4-15H,3H2,1-2H3,(H3,25,26,27).
What are the key properties of N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide?
N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 141482670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).