N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide

C13H11BrN4O2S — CID 134414690

IUPACN-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3cc(Br)ccc3n2)c1
InChIInChI=1S/C13H11BrN4O2S/c1-18-7-13(15-8-18)21(19,20)17-12-5-2-9-6-10(14)3-4-11(9)16-12/h2-8H,1H3,(H,16,17)
InChIKeyJJWJZYUGYIBSRN-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.53
Rot. Bonds3

About N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide

N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 134414690) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide
PubChem CID134414690
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC NameN-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3cc(Br)ccc3n2)c1
InChIInChI=1S/C13H11BrN4O2S/c1-18-7-13(15-8-18)21(19,20)17-12-5-2-9-6-10(14)3-4-11(9)16-12/h2-8H,1H3,(H,16,17)
InChIKeyJJWJZYUGYIBSRN-UHFFFAOYSA-N
XLogP2.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide (CID 134414690) is N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc3cc(Br)ccc3n2)c1.
What is the InChIKey of N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is JJWJZYUGYIBSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c1-18-7-13(15-8-18)21(19,20)17-12-5-2-9-6-10(14)3-4-11(9)16-12/h2-8H,1H3,(H,16,17).
What are the key properties of N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide?
N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 367.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinolin-2-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 134414690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).