3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

C10H10BrN3O2S — CID 64531330

IUPAC3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1cccc(Br)c1
InChIInChI=1S/C10H10BrN3O2S/c11-8-2-1-3-9(6-8)17(15,16)14-7-10-12-4-5-13-10/h1-6,14H,7H2,(H,12,13)
InChIKeyISLPIOCHFGRPMJ-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.65
Rot. Bonds4

About 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 64531330) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
PubChem CID64531330
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1cccc(Br)c1
InChIInChI=1S/C10H10BrN3O2S/c11-8-2-1-3-9(6-8)17(15,16)14-7-10-12-4-5-13-10/h1-6,14H,7H2,(H,12,13)
InChIKeyISLPIOCHFGRPMJ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525944
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
3-fluoro-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82855179
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzenesulfonamide
CID 64532316
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121
N-(1H-imidazol-2-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64531322
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368
3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82847849

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (CID 64531330) is 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ncc[nH]1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is ISLPIOCHFGRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c11-8-2-1-3-9(6-8)17(15,16)14-7-10-12-4-5-13-10/h1-6,14H,7H2,(H,12,13).
What are the key properties of 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 316.18 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 64531330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).