N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide

C17H19NO3S — CID 110751566

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1COc2ccccc2C1
InChIInChI=1S/C17H19NO3S/c19-22(20,11-10-14-6-2-1-3-7-14)18-16-12-15-8-4-5-9-17(15)21-13-16/h1-9,16,18H,10-13H2
InChIKeyNWDIBETYUGBCKH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.15
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide

N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide (PubChem CID 110751566) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
PubChem CID110751566
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1COc2ccccc2C1
InChIInChI=1S/C17H19NO3S/c19-22(20,11-10-14-6-2-1-3-7-14)18-16-12-15-8-4-5-9-17(15)21-13-16/h1-9,16,18H,10-13H2
InChIKeyNWDIBETYUGBCKH-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110751562
N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide
CID 136561857
1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
CID 110751563
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide
CID 146080238
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-1-phenylmethanesulfonamide
CID 95117122

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide (CID 110751566) is N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide?
The InChIKey is NWDIBETYUGBCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-22(20,11-10-14-6-2-1-3-7-14)18-16-12-15-8-4-5-9-17(15)21-13-16/h1-9,16,18H,10-13H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide?
N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 110751566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).