4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

C16H13ClFN3O3S — CID 10156700

IUPAC4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1cc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C16H13ClFN3O3S/c1-24-14-8-10(2-7-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyKKSVTGPVQOIRKT-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.99
Rot. Bonds4

About 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10156700) has the molecular formula C16H13ClFN3O3S and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10156700
Molecular FormulaC16H13ClFN3O3S
Molecular Weight381.82 g/mol
Exact Mass381.04
IUPAC Name4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1cc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C16H13ClFN3O3S/c1-24-14-8-10(2-7-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyKKSVTGPVQOIRKT-UHFFFAOYSA-N
XLogP2.99
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (CID 10156700) is 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide is COc1cc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is KKSVTGPVQOIRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S/c1-24-14-8-10(2-7-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23).
What are the key properties of 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 381.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10156700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).