N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

C17H19N3O3S2 — CID 68934633

IUPACN-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCN(C1CCSCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C17H19N3O3S2/c1-20(11-5-8-24-9-6-11)25(22,23)12-2-3-15-14(10-12)13-4-7-18-16(13)17(21)19-15/h2-4,7,10-11,18H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyJBHUNODXPSTYKD-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.53
Rot. Bonds3

About N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (PubChem CID 68934633) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
PubChem CID68934633
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCN(C1CCSCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C17H19N3O3S2/c1-20(11-5-8-24-9-6-11)25(22,23)12-2-3-15-14(10-12)13-4-7-18-16(13)17(21)19-15/h2-4,7,10-11,18H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyJBHUNODXPSTYKD-UHFFFAOYSA-N
XLogP2.53
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The IUPAC name of N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (CID 68934633) is N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.
What is the SMILES notation for N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The canonical SMILES for N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is CN(C1CCSCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1.
What is the InChIKey of N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The InChIKey is JBHUNODXPSTYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-20(11-5-8-24-9-6-11)25(22,23)12-2-3-15-14(10-12)13-4-7-18-16(13)17(21)19-15/h2-4,7,10-11,18H,5-6,8-9H2,1H3,(H,19,21).
What are the key properties of N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is sourced from PubChem (CID 68934633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).