N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide

C10H11FN4O2S — CID 114244719

IUPACN-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide
SMILESCc1c(N)ccc(F)c1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H11FN4O2S/c1-6-8(12)3-2-7(11)10(6)15-18(16,17)9-4-13-5-14-9/h2-5,15H,12H2,1H3,(H,13,14)
InChIKeyFXIKFLIENOHSQA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide

N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide (PubChem CID 114244719) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide
PubChem CID114244719
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC NameN-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide
SMILESCc1c(N)ccc(F)c1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H11FN4O2S/c1-6-8(12)3-2-7(11)10(6)15-18(16,17)9-4-13-5-14-9/h2-5,15H,12H2,1H3,(H,13,14)
InChIKeyFXIKFLIENOHSQA-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
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

3-fluoro-2-(1H-imidazol-5-ylsulfonylamino)-6-methylbenzoic acid
CID 167768639
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-(thiadiazol-5-yl)-1H-imidazole-5-sulfonamide
CID 114913591
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(2-amino-5-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 107465863
N-(2-cyano-4-fluorophenyl)-1H-imidazole-5-sulfonamide
CID 82015244
3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 107343653
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 106911204
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide (CID 114244719) is N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide is Cc1c(N)ccc(F)c1NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is FXIKFLIENOHSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-8(12)3-2-7(11)10(6)15-18(16,17)9-4-13-5-14-9/h2-5,15H,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide?
N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114244719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).