N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide

C20H20FNO4S — CID 59442979

IUPACN-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
SMILESCC(=O)C1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C
InChIInChI=1S/C20H20FNO4S/c1-12(23)19-18(13-5-7-14(21)8-6-13)16-10-9-15(22-27(4,24)25)11-17(16)26-20(19,2)3/h5-11,22H,1-4H3
InChIKeyXZNAMLJVHKMAGQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.76
Rot. Bonds4

About N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide

N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide (PubChem CID 59442979) has the molecular formula C20H20FNO4S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
PubChem CID59442979
Molecular FormulaC20H20FNO4S
Molecular Weight389.45 g/mol
Exact Mass389.11
IUPAC NameN-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
SMILESCC(=O)C1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C
InChIInChI=1S/C20H20FNO4S/c1-12(23)19-18(13-5-7-14(21)8-6-13)16-10-9-15(22-27(4,24)25)11-17(16)26-20(19,2)3/h5-11,22H,1-4H3
InChIKeyXZNAMLJVHKMAGQ-UHFFFAOYSA-N
XLogP3.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
The IUPAC name of N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide (CID 59442979) is N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide is CC(=O)C1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C.
What is the InChIKey of N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
The InChIKey is XZNAMLJVHKMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4S/c1-12(23)19-18(13-5-7-14(21)8-6-13)16-10-9-15(22-27(4,24)25)11-17(16)26-20(19,2)3/h5-11,22H,1-4H3.
What are the key properties of N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide is sourced from PubChem (CID 59442979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).