[3-(2-methylimidazol-1-yl)phenyl] sulfamate

C10H11N3O3S — CID 10060816

IUPAC[3-(2-methylimidazol-1-yl)phenyl] sulfamate
SMILESCc1nccn1-c1cccc(OS(N)(=O)=O)c1
InChIInChI=1S/C10H11N3O3S/c1-8-12-5-6-13(8)9-3-2-4-10(7-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15)
InChIKeyHWNKQYYGIAHZLZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.76
Rot. Bonds3

About [3-(2-methylimidazol-1-yl)phenyl] sulfamate

[3-(2-methylimidazol-1-yl)phenyl] sulfamate (PubChem CID 10060816) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is [3-(2-methylimidazol-1-yl)phenyl] sulfamate.

Molecular Properties

Compound Name[3-(2-methylimidazol-1-yl)phenyl] sulfamate
PubChem CID10060816
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name[3-(2-methylimidazol-1-yl)phenyl] sulfamate
SMILESCc1nccn1-c1cccc(OS(N)(=O)=O)c1
InChIInChI=1S/C10H11N3O3S/c1-8-12-5-6-13(8)9-3-2-4-10(7-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15)
InChIKeyHWNKQYYGIAHZLZ-UHFFFAOYSA-N
XLogP0.76
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
2-[3-(2-methylimidazol-1-yl)phenyl]-2-oxoacetic acid
CID 117332176
2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
CID 117290921
1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
CID 117386048
N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide
CID 118576391
1-(3-phenoxyphenyl)imidazol-2-amine
CID 106566517
1-(3-azidophenyl)-2-methylimidazole
CID 150915452
1-[3-(2-methylimidazol-1-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117457949
2-methyl-5-(2-methylimidazol-1-yl)benzoic acid
CID 84681738
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylimidazol-1-yl)phenyl] sulfamate?
The IUPAC name of [3-(2-methylimidazol-1-yl)phenyl] sulfamate (CID 10060816) is [3-(2-methylimidazol-1-yl)phenyl] sulfamate.
What is the SMILES notation for [3-(2-methylimidazol-1-yl)phenyl] sulfamate?
The canonical SMILES for [3-(2-methylimidazol-1-yl)phenyl] sulfamate is Cc1nccn1-c1cccc(OS(N)(=O)=O)c1.
What is the InChIKey of [3-(2-methylimidazol-1-yl)phenyl] sulfamate?
The InChIKey is HWNKQYYGIAHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-8-12-5-6-13(8)9-3-2-4-10(7-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15).
What are the key properties of [3-(2-methylimidazol-1-yl)phenyl] sulfamate?
[3-(2-methylimidazol-1-yl)phenyl] sulfamate has a molecular weight of 253.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylimidazol-1-yl)phenyl] sulfamate is sourced from PubChem (CID 10060816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).