N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide

C15H14BrN3O2S2 — CID 133397399

IUPACN-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCNc1ccnc2ccc(Br)cc12)c1cccs1
InChIInChI=1S/C15H14BrN3O2S2/c16-11-3-4-13-12(10-11)14(5-6-17-13)18-7-8-19-23(20,21)15-2-1-9-22-15/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyBEMPWMFLQMIUOJ-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.45
Rot. Bonds6

About N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide

N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133397399) has the molecular formula C15H14BrN3O2S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133397399
Molecular FormulaC15H14BrN3O2S2
Molecular Weight412.33 g/mol
Exact Mass410.97
IUPAC NameN-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCNc1ccnc2ccc(Br)cc12)c1cccs1
InChIInChI=1S/C15H14BrN3O2S2/c16-11-3-4-13-12(10-11)14(5-6-17-13)18-7-8-19-23(20,21)15-2-1-9-22-15/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyBEMPWMFLQMIUOJ-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 133326780
N-(6-bromoquinolin-4-yl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 154558825
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
N-[2-(2-cyano-4-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397458
N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133472879
N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397387
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133397399) is N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCNc1ccnc2ccc(Br)cc12)c1cccs1.
What is the InChIKey of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is BEMPWMFLQMIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S2/c16-11-3-4-13-12(10-11)14(5-6-17-13)18-7-8-19-23(20,21)15-2-1-9-22-15/h1-6,9-10,19H,7-8H2,(H,17,18).
What are the key properties of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 412.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133397399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).