2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride

C10H10FN3O4S2 — CID 116814330

IUPAC2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)c1
InChIInChI=1S/C10H10FN3O4S2/c1-14-6-10(12-7-14)20(17,18)13-8-4-2-3-5-9(8)19(11,15)16/h2-7,13H,1H3
InChIKeyANDDTHJYYHNWFC-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.88
Rot. Bonds4

About 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride

2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride (PubChem CID 116814330) has the molecular formula C10H10FN3O4S2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
PubChem CID116814330
Molecular FormulaC10H10FN3O4S2
Molecular Weight319.34 g/mol
Exact Mass319.01
IUPAC Name2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)c1
InChIInChI=1S/C10H10FN3O4S2/c1-14-6-10(12-7-14)20(17,18)13-8-4-2-3-5-9(8)19(11,15)16/h2-7,13H,1H3
InChIKeyANDDTHJYYHNWFC-UHFFFAOYSA-N
XLogP0.88
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpiperazine
CID 20958596
N-benzyl-1-methyl-1H-imidazole-4-sulfonamide
CID 3477441
1-(4-fluorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 2812668
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612
1-methyl-N-[4-(trifluoromethyl)phenyl]-4-imidazolesulfonamide
CID 3239000
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulonamide
CID 2814215
N-ethyl-N-phenyl-1H-imidazole-4-sulfonamide
CID 3237381
1-methyl-N-(4-methylphenyl)-1H-imidazole-4-sulfonamide
CID 3243801
Benzenesulfonamide, 4-amino-N-(1-(2-(dimethylamino)ethyl)-5-methyl-1H-imidazol-2-yl)-
CID 3054837
Benzenesulfonamide, 4-amino-N-(1-(2-(dimethylamino)ethyl)-1H-imidazol-2-yl)-
CID 3054839
Benzenesulfonamide, 4-amino-N-(1-butyl-1H-imidazol-2-yl)-
CID 3054840
2-(1H-imidazol-1-yl)benzene-1-sulfonamide
CID 22616293

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride (CID 116814330) is 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride is Cn1cnc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)c1.
What is the InChIKey of 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
The InChIKey is ANDDTHJYYHNWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4S2/c1-14-6-10(12-7-14)20(17,18)13-8-4-2-3-5-9(8)19(11,15)16/h2-7,13H,1H3.
What are the key properties of 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride has a molecular weight of 319.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).