N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide

C13H9ClFN3O2S — CID 63563133

IUPACN-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H9ClFN3O2S/c14-9-7-8(15)5-6-12(9)21(19,20)18-13-16-10-3-1-2-4-11(10)17-13/h1-7H,(H2,16,17,18)
InChIKeyKFEKMDFVJAMBKX-UHFFFAOYSA-N
MW325.75 g/mol
LogP3.16
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide

N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 63563133) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID63563133
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC NameN-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H9ClFN3O2S/c14-9-7-8(15)5-6-12(9)21(19,20)18-13-16-10-3-1-2-4-11(10)17-13/h1-7H,(H2,16,17,18)
InChIKeyKFEKMDFVJAMBKX-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
3-N-(1H-benzimidazol-2-yl)-4-chloro-1-N,1-N-diethylbenzene-1,3-disulfonamide
CID 75433916
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3758195
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
CID 63564636
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide (CID 63563133) is N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is KFEKMDFVJAMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-9-7-8(15)5-6-12(9)21(19,20)18-13-16-10-3-1-2-4-11(10)17-13/h1-7H,(H2,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63563133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).