N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide

C11H12BrN3O2S — CID 20958647

IUPACN-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C11H12BrN3O2S/c1-15-7-11(13-8-15)18(16,17)14-6-9-2-4-10(12)5-3-9/h2-5,7-8,14H,6H2,1H3
InChIKeyFYMNONGQHJZDGV-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.66
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide

N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 20958647) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID20958647
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C11H12BrN3O2S/c1-15-7-11(13-8-15)18(16,17)14-6-9-2-4-10(12)5-3-9/h2-5,7-8,14H,6H2,1H3
InChIKeyFYMNONGQHJZDGV-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
CID 71806154
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
CID 120724092
N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 46345208
1-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]imidazole-4-sulfonamide
CID 125443777
N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 167791911
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-[2-(2-bromoethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 114295998
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 138673315
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide (CID 20958647) is N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2ccc(Br)cc2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is FYMNONGQHJZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-15-7-11(13-8-15)18(16,17)14-6-9-2-4-10(12)5-3-9/h2-5,7-8,14H,6H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).