4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide

C18H17F2NO4S — CID 51212101

IUPAC4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2C1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H17F2NO4S/c19-18(20)26(23,24)15-7-5-13(6-8-15)17(22)21-10-12-9-14-3-1-2-4-16(14)25-11-12/h1-8,12,18H,9-11H2,(H,21,22)
InChIKeySSJHHTXHOCUNAV-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.66
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide

4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide (PubChem CID 51212101) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
PubChem CID51212101
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC Name4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2C1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H17F2NO4S/c19-18(20)26(23,24)15-7-5-13(6-8-15)17(22)21-10-12-9-14-3-1-2-4-16(14)25-11-12/h1-8,12,18H,9-11H2,(H,21,22)
InChIKeySSJHHTXHOCUNAV-UHFFFAOYSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 72933785
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55394850
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 51278188
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide (CID 51212101) is 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide is O=C(NCC1COc2ccccc2C1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
The InChIKey is SSJHHTXHOCUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c19-18(20)26(23,24)15-7-5-13(6-8-15)17(22)21-10-12-9-14-3-1-2-4-16(14)25-11-12/h1-8,12,18H,9-11H2,(H,21,22).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide has a molecular weight of 381.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide is sourced from PubChem (CID 51212101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).