N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide

C13H10BrN3O2S — CID 115897637

IUPACN-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1cnc[nH]1
InChIInChI=1S/C13H10BrN3O2S/c14-11-5-6-12(10-4-2-1-3-9(10)11)17-20(18,19)13-7-15-8-16-13/h1-8,17H,(H,15,16)
InChIKeyULBOQLOWNWNFRO-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.13
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide

N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide (PubChem CID 115897637) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide
PubChem CID115897637
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC NameN-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1cnc[nH]1
InChIInChI=1S/C13H10BrN3O2S/c14-11-5-6-12(10-4-2-1-3-9(10)11)17-20(18,19)13-7-15-8-16-13/h1-8,17H,(H,15,16)
InChIKeyULBOQLOWNWNFRO-UHFFFAOYSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
CID 3865919
N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 82864859
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
CID 77021280
N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 104815465
N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
CID 102695858
N-(2-cyano-4-fluorophenyl)-1H-imidazole-5-sulfonamide
CID 82015244
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide (CID 115897637) is N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide is O=S(=O)(Nc1ccc(Br)c2ccccc12)c1cnc[nH]1.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is ULBOQLOWNWNFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-11-5-6-12(10-4-2-1-3-9(10)11)17-20(18,19)13-7-15-8-16-13/h1-8,17H,(H,15,16).
What are the key properties of N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 352.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115897637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).