N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide

C19H16BrF3N4O4S — CID 156859929

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)c(C(F)(F)F)n2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrF3N4O4S/c1-27-10-14(25-18(27)19(21,22)23)17(28)24-13-7-8-15(31-2)16(9-13)32(29,30)26-12-5-3-11(20)4-6-12/h3-10,26H,1-2H3,(H,24,28)
InChIKeyNGIVVJSEMPPGPN-UHFFFAOYSA-N
MW533.33 g/mol
LogP4.26
Rot. Bonds6

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 156859929) has the molecular formula C19H16BrF3N4O4S and a molecular weight of 533.33 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID156859929
Molecular FormulaC19H16BrF3N4O4S
Molecular Weight533.33 g/mol
Exact Mass532.00
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)c(C(F)(F)F)n2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrF3N4O4S/c1-27-10-14(25-18(27)19(21,22)23)17(28)24-13-7-8-15(31-2)16(9-13)32(29,30)26-12-5-3-11(20)4-6-12/h3-10,26H,1-2H3,(H,24,28)
InChIKeyNGIVVJSEMPPGPN-UHFFFAOYSA-N
XLogP4.26
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
CID 35745347
N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 156859652
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide (CID 156859929) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C)c(C(F)(F)F)n2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is NGIVVJSEMPPGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O4S/c1-27-10-14(25-18(27)19(21,22)23)17(28)24-13-7-8-15(31-2)16(9-13)32(29,30)26-12-5-3-11(20)4-6-12/h3-10,26H,1-2H3,(H,24,28).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 533.33 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 156859929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).