anilino methanesulfonate;1H-imidazole

C10H13N3O3S — CID 175330405

IUPACanilino methanesulfonate;1H-imidazole
SMILESCS(=O)(=O)ONc1ccccc1.c1c[nH]cn1
InChIInChI=1S/C7H9NO3S.C3H4N2/c1-12(9,10)11-8-7-5-3-2-4-6-7;1-2-5-3-4-1/h2-6,8H,1H3;1-3H,(H,4,5)
InChIKeyDCYDGVQJAFMASN-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.40
Rot. Bonds3

About anilino methanesulfonate;1H-imidazole

anilino methanesulfonate;1H-imidazole (PubChem CID 175330405) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is anilino methanesulfonate;1H-imidazole.

Molecular Properties

Compound Nameanilino methanesulfonate;1H-imidazole
PubChem CID175330405
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Nameanilino methanesulfonate;1H-imidazole
SMILESCS(=O)(=O)ONc1ccccc1.c1c[nH]cn1
InChIInChI=1S/C7H9NO3S.C3H4N2/c1-12(9,10)11-8-7-5-3-2-4-6-7;1-2-5-3-4-1/h2-6,8H,1H3;1-3H,(H,4,5)
InChIKeyDCYDGVQJAFMASN-UHFFFAOYSA-N
XLogP1.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anilino methanesulfonate;1H-imidazole?
The IUPAC name of anilino methanesulfonate;1H-imidazole (CID 175330405) is anilino methanesulfonate;1H-imidazole.
What is the SMILES notation for anilino methanesulfonate;1H-imidazole?
The canonical SMILES for anilino methanesulfonate;1H-imidazole is CS(=O)(=O)ONc1ccccc1.c1c[nH]cn1.
What is the InChIKey of anilino methanesulfonate;1H-imidazole?
The InChIKey is DCYDGVQJAFMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S.C3H4N2/c1-12(9,10)11-8-7-5-3-2-4-6-7;1-2-5-3-4-1/h2-6,8H,1H3;1-3H,(H,4,5).
What are the key properties of anilino methanesulfonate;1H-imidazole?
anilino methanesulfonate;1H-imidazole has a molecular weight of 255.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anilino methanesulfonate;1H-imidazole is sourced from PubChem (CID 175330405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).