N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide

C7H12BrN3O2S — CID 104556364

IUPACN-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide
SMILESCC(CBr)N(C)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H12BrN3O2S/c1-6(3-8)11(2)14(12,13)7-4-9-5-10-7/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyHRFGQDOIMWGKRC-UHFFFAOYSA-N
MW282.16 g/mol
LogP0.81
Rot. Bonds4

About N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide

N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide (PubChem CID 104556364) has the molecular formula C7H12BrN3O2S and a molecular weight of 282.16 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide
PubChem CID104556364
Molecular FormulaC7H12BrN3O2S
Molecular Weight282.16 g/mol
Exact Mass280.98
IUPAC NameN-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide
SMILESCC(CBr)N(C)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H12BrN3O2S/c1-6(3-8)11(2)14(12,13)7-4-9-5-10-7/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyHRFGQDOIMWGKRC-UHFFFAOYSA-N
XLogP0.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 97239326
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 80672046
N-[3-(diethylamino)propyl]-N-ethyl-1H-imidazole-5-sulfonamide
CID 102995748
N-cyclobutyl-N-methyl-1H-imidazole-5-sulfonamide
CID 115650745
N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide
CID 115755526
N-methyl-N-[2-(methylamino)ethyl]-1H-imidazole-5-sulfonamide;hydrochloride
CID 120718169
2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid
CID 103862547
N-(1-bromopropan-2-yl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 104556395
N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide
CID 78996134
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 79668448

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide (CID 104556364) is N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide is CC(CBr)N(C)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is HRFGQDOIMWGKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O2S/c1-6(3-8)11(2)14(12,13)7-4-9-5-10-7/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide?
N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 282.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104556364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).