8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide

C15H18N2O4S2 — CID 134002358

IUPAC8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C)CCS(=O)(=O)C2)c2cccnc12
InChIInChI=1S/C15H18N2O4S2/c1-11-5-6-13(12-4-3-8-16-14(11)12)23(20,21)17-15(2)7-9-22(18,19)10-15/h3-6,8,17H,7,9-10H2,1-2H3
InChIKeyGZSBGPPNOQRWCI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.40
Rot. Bonds3

About 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide

8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide (PubChem CID 134002358) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide
PubChem CID134002358
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C)CCS(=O)(=O)C2)c2cccnc12
InChIInChI=1S/C15H18N2O4S2/c1-11-5-6-13(12-4-3-8-16-14(11)12)23(20,21)17-15(2)7-9-22(18,19)10-15/h3-6,8,17H,7,9-10H2,1-2H3
InChIKeyGZSBGPPNOQRWCI-UHFFFAOYSA-N
XLogP1.40
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide (CID 134002358) is 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC2(C)CCS(=O)(=O)C2)c2cccnc12.
What is the InChIKey of 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide?
The InChIKey is GZSBGPPNOQRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-11-5-6-13(12-4-3-8-16-14(11)12)23(20,21)17-15(2)7-9-22(18,19)10-15/h3-6,8,17H,7,9-10H2,1-2H3.
What are the key properties of 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide?
8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide has a molecular weight of 354.45 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide is sourced from PubChem (CID 134002358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).