N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide

C13H17FN4O2S — CID 166372898

IUPACN-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide
SMILESCC(C)(C)c1[nH]cnc1S(=O)(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C13H17FN4O2S/c1-13(2,3)11-12(17-7-16-11)21(19,20)18-10-6-8(14)4-5-9(10)15/h4-7,18H,15H2,1-3H3,(H,16,17)
InChIKeyLDJVWXCSCNIGID-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.23
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide

N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide (PubChem CID 166372898) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide
PubChem CID166372898
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC NameN-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide
SMILESCC(C)(C)c1[nH]cnc1S(=O)(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C13H17FN4O2S/c1-13(2,3)11-12(17-7-16-11)21(19,20)18-10-6-8(14)4-5-9(10)15/h4-7,18H,15H2,1-3H3,(H,16,17)
InChIKeyLDJVWXCSCNIGID-UHFFFAOYSA-N
XLogP2.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.23
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-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
CID 167841193
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 63257611
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
3-amino-N-(2-chloro-5-fluorophenyl)pyridine-2-sulfonamide
CID 107531133
5-tert-butyl-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)-1H-imidazole-4-sulfonamide
CID 166393111
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
3-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-sulfonamide
CID 103304304

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide (CID 166372898) is N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide is CC(C)(C)c1[nH]cnc1S(=O)(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide?
The InChIKey is LDJVWXCSCNIGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-13(2,3)11-12(17-7-16-11)21(19,20)18-10-6-8(14)4-5-9(10)15/h4-7,18H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide?
N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide is sourced from PubChem (CID 166372898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).