N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide

C16H12BrFN4O3S — CID 155116630

IUPACN-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2Br)nc1-c1ncccc1F
InChIInChI=1S/C16H12BrFN4O3S/c1-22-9-12(20-15(22)14-11(18)6-4-8-19-14)16(23)21-26(24,25)13-7-3-2-5-10(13)17/h2-9H,1H3,(H,21,23)
InChIKeyAWVQWMJCFCDHNJ-UHFFFAOYSA-N
MW439.27 g/mol
LogP2.50
Rot. Bonds4

About N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide

N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116630) has the molecular formula C16H12BrFN4O3S and a molecular weight of 439.27 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
PubChem CID155116630
Molecular FormulaC16H12BrFN4O3S
Molecular Weight439.27 g/mol
Exact Mass437.98
IUPAC NameN-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2Br)nc1-c1ncccc1F
InChIInChI=1S/C16H12BrFN4O3S/c1-22-9-12(20-15(22)14-11(18)6-4-8-19-14)16(23)21-26(24,25)13-7-3-2-5-10(13)17/h2-9H,1H3,(H,21,23)
InChIKeyAWVQWMJCFCDHNJ-UHFFFAOYSA-N
XLogP2.50
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide (CID 155116630) is N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2ccccc2Br)nc1-c1ncccc1F.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
The InChIKey is AWVQWMJCFCDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O3S/c1-22-9-12(20-15(22)14-11(18)6-4-8-19-14)16(23)21-26(24,25)13-7-3-2-5-10(13)17/h2-9H,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide has a molecular weight of 439.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).