N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

C24H23FN2O4S — CID 154877409

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)CCCO3)ccc1F
InChIInChI=1S/C24H23FN2O4S/c1-16-13-19(9-10-21(16)25)32(29,30)27-22-7-3-2-6-20(22)24(28)26-15-17-8-11-23-18(14-17)5-4-12-31-23/h2-3,6-11,13-14,27H,4-5,12,15H2,1H3,(H,26,28)
InChIKeyDNIFHUVCYAAIMR-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.19
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (PubChem CID 154877409) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
PubChem CID154877409
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)CCCO3)ccc1F
InChIInChI=1S/C24H23FN2O4S/c1-16-13-19(9-10-21(16)25)32(29,30)27-22-7-3-2-6-20(22)24(28)26-15-17-8-11-23-18(14-17)5-4-12-31-23/h2-3,6-11,13-14,27H,4-5,12,15H2,1H3,(H,26,28)
InChIKeyDNIFHUVCYAAIMR-UHFFFAOYSA-N
XLogP4.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
CID 110705670
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 6492763
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2373674
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 46971082
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95729073
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide (CID 154877409) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)CCCO3)ccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
The InChIKey is DNIFHUVCYAAIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-16-13-19(9-10-21(16)25)32(29,30)27-22-7-3-2-6-20(22)24(28)26-15-17-8-11-23-18(14-17)5-4-12-31-23/h2-3,6-11,13-14,27H,4-5,12,15H2,1H3,(H,26,28).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide has a molecular weight of 454.52 g/mol, XLogP of 4.19, 6 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-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 154877409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).