2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide

C13H11FN4O2S — CID 63564636

IUPAC2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11FN4O2S/c14-8-4-3-5-9(15)12(8)21(19,20)18-13-16-10-6-1-2-7-11(10)17-13/h1-7H,15H2,(H2,16,17,18)
InChIKeyLAONSWDFHBMJBU-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.09
Rot. Bonds3

About 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide

2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide (PubChem CID 63564636) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
PubChem CID63564636
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11FN4O2S/c14-8-4-3-5-9(15)12(8)21(19,20)18-13-16-10-6-1-2-7-11(10)17-13/h1-7H,15H2,(H2,16,17,18)
InChIKeyLAONSWDFHBMJBU-UHFFFAOYSA-N
XLogP2.09
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.09
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

2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
CID 63564707
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3758195
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 63565257
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide (CID 63564636) is 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide?
The InChIKey is LAONSWDFHBMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c14-8-4-3-5-9(15)12(8)21(19,20)18-13-16-10-6-1-2-7-11(10)17-13/h1-7H,15H2,(H2,16,17,18).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide?
2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 63564636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).