N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide

C10H10BrN3O2S — CID 114296143

IUPACN-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1cnc[nH]1
InChIInChI=1S/C10H10BrN3O2S/c11-5-8-3-1-2-4-9(8)14-17(15,16)10-6-12-7-13-10/h1-4,6-7,14H,5H2,(H,12,13)
InChIKeyYUYWUZFQJIMSOS-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide

N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 114296143) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID114296143
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC NameN-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1cnc[nH]1
InChIInChI=1S/C10H10BrN3O2S/c11-5-8-3-1-2-4-9(8)14-17(15,16)10-6-12-7-13-10/h1-4,6-7,14H,5H2,(H,12,13)
InChIKeyYUYWUZFQJIMSOS-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide
CID 115897637
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 68948836
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
CID 77021280
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 106911204
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373
N-[4-(2-chloroethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 65031162
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide
CID 46392593

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide (CID 114296143) is N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1CBr)c1cnc[nH]1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is YUYWUZFQJIMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c11-5-8-3-1-2-4-9(8)14-17(15,16)10-6-12-7-13-10/h1-4,6-7,14H,5H2,(H,12,13).
What are the key properties of N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide?
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 316.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114296143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).