2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide

C14H13N3O2S2 — CID 62143229

IUPAC2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
SMILESNc1ccc2cc(S(=O)(=O)NCc3cccs3)ccc2n1
InChIInChI=1S/C14H13N3O2S2/c15-14-6-3-10-8-12(4-5-13(10)17-14)21(18,19)16-9-11-2-1-7-20-11/h1-8,16H,9H2,(H2,15,17)
InChIKeyNNBHWPNAQLGPFH-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.36
Rot. Bonds4

About 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide

2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide (PubChem CID 62143229) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
PubChem CID62143229
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
SMILESNc1ccc2cc(S(=O)(=O)NCc3cccs3)ccc2n1
InChIInChI=1S/C14H13N3O2S2/c15-14-6-3-10-8-12(4-5-13(10)17-14)21(18,19)16-9-11-2-1-7-20-11/h1-8,16H,9H2,(H2,15,17)
InChIKeyNNBHWPNAQLGPFH-UHFFFAOYSA-N
XLogP2.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
CID 107298100
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide (CID 62143229) is 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide is Nc1ccc2cc(S(=O)(=O)NCc3cccs3)ccc2n1.
What is the InChIKey of 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide?
The InChIKey is NNBHWPNAQLGPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-14-6-3-10-8-12(4-5-13(10)17-14)21(18,19)16-9-11-2-1-7-20-11/h1-8,16H,9H2,(H2,15,17).
What are the key properties of 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide?
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 62143229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).