N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide

C14H16FN3O3S — CID 10268192

IUPACN-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)cc2c1OCCC2c1cnc[nH]1
InChIInChI=1S/C14H16FN3O3S/c1-2-22(19,20)18-12-6-9(15)5-11-10(3-4-21-14(11)12)13-7-16-8-17-13/h5-8,10,18H,2-4H2,1H3,(H,16,17)
InChIKeyCAVYJBGYLUSLAM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.22
Rot. Bonds4

About N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide

N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide (PubChem CID 10268192) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide
PubChem CID10268192
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC NameN-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)cc2c1OCCC2c1cnc[nH]1
InChIInChI=1S/C14H16FN3O3S/c1-2-22(19,20)18-12-6-9(15)5-11-10(3-4-21-14(11)12)13-7-16-8-17-13/h5-8,10,18H,2-4H2,1H3,(H,16,17)
InChIKeyCAVYJBGYLUSLAM-UHFFFAOYSA-N
XLogP2.22
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
The IUPAC name of N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide (CID 10268192) is N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
The canonical SMILES for N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(F)cc2c1OCCC2c1cnc[nH]1.
What is the InChIKey of N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
The InChIKey is CAVYJBGYLUSLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-2-22(19,20)18-12-6-9(15)5-11-10(3-4-21-14(11)12)13-7-16-8-17-13/h5-8,10,18H,2-4H2,1H3,(H,16,17).
What are the key properties of N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide has a molecular weight of 325.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide is sourced from PubChem (CID 10268192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).