N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H9ClF3N3O3S — CID 110424614

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2[nH]1
InChIInChI=1S/C14H9ClF3N3O3S/c15-9-3-1-7(14(16,17)18)5-11(9)21-25(23,24)8-2-4-10-12(6-8)20-13(22)19-10/h1-6,21H,(H2,19,20,22)
InChIKeyRXUXRNSNQPYHCV-UHFFFAOYSA-N
MW391.76 g/mol
LogP3.33
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110424614) has the molecular formula C14H9ClF3N3O3S and a molecular weight of 391.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110424614
Molecular FormulaC14H9ClF3N3O3S
Molecular Weight391.76 g/mol
Exact Mass391.00
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2[nH]1
InChIInChI=1S/C14H9ClF3N3O3S/c15-9-3-1-7(14(16,17)18)5-11(9)21-25(23,24)8-2-4-10-12(6-8)20-13(22)19-10/h1-6,21H,(H2,19,20,22)
InChIKeyRXUXRNSNQPYHCV-UHFFFAOYSA-N
XLogP3.33
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.76
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110424614) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2[nH]1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is RXUXRNSNQPYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3S/c15-9-3-1-7(14(16,17)18)5-11(9)21-25(23,24)8-2-4-10-12(6-8)20-13(22)19-10/h1-6,21H,(H2,19,20,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 391.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110424614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).