N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

C24H18N2O2S2 — CID 118873485

IUPACN-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4s3)c3cccnc23)cc1
InChIInChI=1S/C24H18N2O2S2/c1-16-8-10-18(11-9-16)30(27,28)26-21-13-12-19(20-6-4-14-25-24(20)21)23-15-17-5-2-3-7-22(17)29-23/h2-15,26H,1H3
InChIKeyRYLPKYRSYHLOHM-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.23
Rot. Bonds4

About N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 118873485) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID118873485
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC NameN-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4s3)c3cccnc23)cc1
InChIInChI=1S/C24H18N2O2S2/c1-16-8-10-18(11-9-16)30(27,28)26-21-13-12-19(20-6-4-14-25-24(20)21)23-15-17-5-2-3-7-22(17)29-23/h2-15,26H,1H3
InChIKeyRYLPKYRSYHLOHM-UHFFFAOYSA-N
XLogP6.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 118873485) is N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4s3)c3cccnc23)cc1.
What is the InChIKey of N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is RYLPKYRSYHLOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c1-16-8-10-18(11-9-16)30(27,28)26-21-13-12-19(20-6-4-14-25-24(20)21)23-15-17-5-2-3-7-22(17)29-23/h2-15,26H,1H3.
What are the key properties of N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzothiophen-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118873485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).