N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide

C19H16BrF2N3O3S — CID 155116455

IUPACN-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NS(=O)(=O)c2ccccc2Br)nc(-c2c(F)cccc2F)n1C
InChIInChI=1S/C19H16BrF2N3O3S/c1-3-14-17(19(26)24-29(27,28)15-10-5-4-7-11(15)20)23-18(25(14)2)16-12(21)8-6-9-13(16)22/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyJDNMMCPEZAXQPW-UHFFFAOYSA-N
MW484.32 g/mol
LogP3.81
Rot. Bonds5

About N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide

N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide (PubChem CID 155116455) has the molecular formula C19H16BrF2N3O3S and a molecular weight of 484.32 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide
PubChem CID155116455
Molecular FormulaC19H16BrF2N3O3S
Molecular Weight484.32 g/mol
Exact Mass483.01
IUPAC NameN-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NS(=O)(=O)c2ccccc2Br)nc(-c2c(F)cccc2F)n1C
InChIInChI=1S/C19H16BrF2N3O3S/c1-3-14-17(19(26)24-29(27,28)15-10-5-4-7-11(15)20)23-18(25(14)2)16-12(21)8-6-9-13(16)22/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyJDNMMCPEZAXQPW-UHFFFAOYSA-N
XLogP3.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 155116265
N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
CID 155116630
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116473
3-bromo-N-(2-bromophenyl)sulfonyl-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 19739624
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166914
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116356

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide (CID 155116455) is N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide is CCc1c(C(=O)NS(=O)(=O)c2ccccc2Br)nc(-c2c(F)cccc2F)n1C.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide?
The InChIKey is JDNMMCPEZAXQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N3O3S/c1-3-14-17(19(26)24-29(27,28)15-10-5-4-7-11(15)20)23-18(25(14)2)16-12(21)8-6-9-13(16)22/h4-10H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide?
N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide has a molecular weight of 484.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).