N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide

C16H17NO3S — CID 110726216

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H17NO3S/c18-21(19,12-13-5-2-1-3-6-13)17-15-8-9-16-14(11-15)7-4-10-20-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2
InChIKeyNUNOSSGDWYBMIF-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.95
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide

N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide (PubChem CID 110726216) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
PubChem CID110726216
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H17NO3S/c18-21(19,12-13-5-2-1-3-6-13)17-15-8-9-16-14(11-15)7-4-10-20-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2
InChIKeyNUNOSSGDWYBMIF-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
2-[5-(benzylsulfonylamino)-2-(3,4-dihydro-2H-chromen-6-yl)-3-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380293
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16927386
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide (CID 110726216) is N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide?
The InChIKey is NUNOSSGDWYBMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,12-13-5-2-1-3-6-13)17-15-8-9-16-14(11-15)7-4-10-20-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide?
N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.95, 4 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-6-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110726216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).