N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide

C18H19FN2O4S — CID 47049200

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C18H19FN2O4S/c1-2-20-26(23,24)12-7-8-15(19)14(11-12)18(22)21-16-9-10-25-17-6-4-3-5-13(16)17/h3-8,11,16,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyCKTPQRSCTRAESN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.38
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide (PubChem CID 47049200) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
PubChem CID47049200
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C18H19FN2O4S/c1-2-20-26(23,24)12-7-8-15(19)14(11-12)18(22)21-16-9-10-25-17-6-4-3-5-13(16)17/h3-8,11,16,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyCKTPQRSCTRAESN-UHFFFAOYSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
CID 31284339
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 46679708
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41411759
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide (CID 47049200) is N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is CKTPQRSCTRAESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-2-20-26(23,24)12-7-8-15(19)14(11-12)18(22)21-16-9-10-25-17-6-4-3-5-13(16)17/h3-8,11,16,20H,2,9-10H2,1H3,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 47049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).