1-[3-(sulfamoylamino)phenyl]imidazole

C9H10N4O2S — CID 112573328

IUPAC1-[3-(sulfamoylamino)phenyl]imidazole
SMILESNS(=O)(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C9H10N4O2S/c10-16(14,15)12-8-2-1-3-9(6-8)13-5-4-11-7-13/h1-7,12H,(H2,10,14,15)
InChIKeyPUHBJAQOTKITIJ-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.49
Rot. Bonds3

About 1-[3-(sulfamoylamino)phenyl]imidazole

1-[3-(sulfamoylamino)phenyl]imidazole (PubChem CID 112573328) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-[3-(sulfamoylamino)phenyl]imidazole.

Molecular Properties

Compound Name1-[3-(sulfamoylamino)phenyl]imidazole
PubChem CID112573328
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-[3-(sulfamoylamino)phenyl]imidazole
SMILESNS(=O)(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C9H10N4O2S/c10-16(14,15)12-8-2-1-3-9(6-8)13-5-4-11-7-13/h1-7,12H,(H2,10,14,15)
InChIKeyPUHBJAQOTKITIJ-UHFFFAOYSA-N
XLogP0.49
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
CID 61456011
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
1-(3-tert-butylphenyl)imidazole
CID 59332766
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
N-hexan-3-yl-3-imidazol-1-ylaniline
CID 103936283
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301

Frequently Asked Questions

What is the IUPAC name of 1-[3-(sulfamoylamino)phenyl]imidazole?
The IUPAC name of 1-[3-(sulfamoylamino)phenyl]imidazole (CID 112573328) is 1-[3-(sulfamoylamino)phenyl]imidazole.
What is the SMILES notation for 1-[3-(sulfamoylamino)phenyl]imidazole?
The canonical SMILES for 1-[3-(sulfamoylamino)phenyl]imidazole is NS(=O)(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-[3-(sulfamoylamino)phenyl]imidazole?
The InChIKey is PUHBJAQOTKITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-16(14,15)12-8-2-1-3-9(6-8)13-5-4-11-7-13/h1-7,12H,(H2,10,14,15).
What are the key properties of 1-[3-(sulfamoylamino)phenyl]imidazole?
1-[3-(sulfamoylamino)phenyl]imidazole has a molecular weight of 238.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(sulfamoylamino)phenyl]imidazole is sourced from PubChem (CID 112573328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).