N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide

C9H9BrN4O2S — CID 79768373

IUPACN-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
SMILESNc1cc(NS(=O)(=O)c2cnc[nH]2)ccc1Br
InChIInChI=1S/C9H9BrN4O2S/c10-7-2-1-6(3-8(7)11)14-17(15,16)9-4-12-5-13-9/h1-5,14H,11H2,(H,12,13)
InChIKeyIFOQCMWKRAZOEE-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.56
Rot. Bonds3

About N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide

N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide (PubChem CID 79768373) has the molecular formula C9H9BrN4O2S and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
PubChem CID79768373
Molecular FormulaC9H9BrN4O2S
Molecular Weight317.17 g/mol
Exact Mass315.96
IUPAC NameN-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
SMILESNc1cc(NS(=O)(=O)c2cnc[nH]2)ccc1Br
InChIInChI=1S/C9H9BrN4O2S/c10-7-2-1-6(3-8(7)11)14-17(15,16)9-4-12-5-13-9/h1-5,14H,11H2,(H,12,13)
InChIKeyIFOQCMWKRAZOEE-UHFFFAOYSA-N
XLogP1.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 82864859
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide
CID 114244719
N-[4-(2-chloroethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 65031162
N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
CID 71271553
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 106911204
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide
CID 50835429
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 104815465
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide (CID 79768373) is N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide is Nc1cc(NS(=O)(=O)c2cnc[nH]2)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is IFOQCMWKRAZOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2S/c10-7-2-1-6(3-8(7)11)14-17(15,16)9-4-12-5-13-9/h1-5,14H,11H2,(H,12,13).
What are the key properties of N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide?
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 317.17 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79768373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).