N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide

C16H12N2O2S2 — CID 1474735

IUPACN-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1
InChIInChI=1S/C16H12N2O2S2/c19-22(20,16-7-3-11-21-16)17-14-5-1-6-15-13(14)9-8-12-4-2-10-18(12)15/h1-11,17H
InChIKeyBPTPNBWSOKFDTN-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.95
Rot. Bonds3

About N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide

N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide (PubChem CID 1474735) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide
PubChem CID1474735
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC NameN-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1
InChIInChI=1S/C16H12N2O2S2/c19-22(20,16-7-3-11-21-16)17-14-5-1-6-15-13(14)9-8-12-4-2-10-18(12)15/h1-11,17H
InChIKeyBPTPNBWSOKFDTN-UHFFFAOYSA-N
XLogP3.95
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide?
The IUPAC name of N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide (CID 1474735) is N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide?
The canonical SMILES for N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide is O=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1.
What is the InChIKey of N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide?
The InChIKey is BPTPNBWSOKFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c19-22(20,16-7-3-11-21-16)17-14-5-1-6-15-13(14)9-8-12-4-2-10-18(12)15/h1-11,17H.
What are the key properties of N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide?
N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolo[1,2-a]quinolin-6-ylthiophene-2-sulfonamide is sourced from PubChem (CID 1474735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).