4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide

C14H13N3O2S2 — CID 106048429

IUPAC4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C14H13N3O2S2/c15-8-10-7-13(20-9-10)21(18,19)17-12-5-1-3-11-4-2-6-16-14(11)12/h1-7,9,17H,8,15H2
InChIKeyBKBZMWCYYNURPL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.56
Rot. Bonds4

About 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide

4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide (PubChem CID 106048429) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
PubChem CID106048429
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C14H13N3O2S2/c15-8-10-7-13(20-9-10)21(18,19)17-12-5-1-3-11-4-2-6-16-14(11)12/h1-7,9,17H,8,15H2
InChIKeyBKBZMWCYYNURPL-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide (CID 106048429) is 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide?
The InChIKey is BKBZMWCYYNURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-8-10-7-13(20-9-10)21(18,19)17-12-5-1-3-11-4-2-6-16-14(11)12/h1-7,9,17H,8,15H2.
What are the key properties of 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide?
4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106048429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).