N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide

C16H17NO3S — CID 33038573

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C16H17NO3S/c18-21(19,12-13-6-2-1-3-7-13)17-15-10-11-20-16-9-5-4-8-14(15)16/h1-9,15,17H,10-12H2/t15-/m1/s1
InChIKeyXXLWTOPOUYOJPK-OAHLLOKOSA-N
MW303.38 g/mol
LogP2.63
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide (PubChem CID 33038573) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
PubChem CID33038573
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C16H17NO3S/c18-21(19,12-13-6-2-1-3-7-13)17-15-10-11-20-16-9-5-4-8-14(15)16/h1-9,15,17H,10-12H2/t15-/m1/s1
InChIKeyXXLWTOPOUYOJPK-OAHLLOKOSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
CID 110751350
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide
CID 164640310
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide (CID 33038573) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide?
The InChIKey is XXLWTOPOUYOJPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,12-13-6-2-1-3-7-13)17-15-10-11-20-16-9-5-4-8-14(15)16/h1-9,15,17H,10-12H2/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 33038573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).