N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide

C12H13BrClN3O2S — CID 47164706

IUPACN-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ncn(C)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrClN3O2S/c1-8(9-3-5-10(13)6-4-9)16-20(18,19)12-11(14)17(2)7-15-12/h3-8,16H,1-2H3
InChIKeyVHCGYRWITAODHF-UHFFFAOYSA-N
MW378.68 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide

N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 47164706) has the molecular formula C12H13BrClN3O2S and a molecular weight of 378.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID47164706
Molecular FormulaC12H13BrClN3O2S
Molecular Weight378.68 g/mol
Exact Mass376.96
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ncn(C)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrClN3O2S/c1-8(9-3-5-10(13)6-4-9)16-20(18,19)12-11(14)17(2)7-15-12/h3-8,16H,1-2H3
InChIKeyVHCGYRWITAODHF-UHFFFAOYSA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
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5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
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5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 103854127
N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
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5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide
CID 113356699
5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
CID 61395268
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 62091697
5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106466652
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 107869091
3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358529

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide (CID 47164706) is N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide is CC(NS(=O)(=O)c1ncn(C)c1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is VHCGYRWITAODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2S/c1-8(9-3-5-10(13)6-4-9)16-20(18,19)12-11(14)17(2)7-15-12/h3-8,16H,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 378.68 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 47164706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).