3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide

C14H10ClFN4O2S — CID 90608270

IUPAC3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O2S/c15-12-7-11(2-3-13(12)16)23(21,22)19-10-1-4-14(18-8-10)20-6-5-17-9-20/h1-9,19H
InChIKeyGOAJBFIBEYAEHA-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.86
Rot. Bonds4

About 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide

3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 90608270) has the molecular formula C14H10ClFN4O2S and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID90608270
Molecular FormulaC14H10ClFN4O2S
Molecular Weight352.78 g/mol
Exact Mass352.02
IUPAC Name3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O2S/c15-12-7-11(2-3-13(12)16)23(21,22)19-10-1-4-14(18-8-10)20-6-5-17-9-20/h1-9,19H
InChIKeyGOAJBFIBEYAEHA-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide (CID 90608270) is 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is GOAJBFIBEYAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2S/c15-12-7-11(2-3-13(12)16)23(21,22)19-10-1-4-14(18-8-10)20-6-5-17-9-20/h1-9,19H.
What are the key properties of 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 352.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(6-imidazol-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 90608270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).