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

C17H19NO3S — CID 110726218

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H19NO3S/c1-13-4-2-5-14(10-13)12-22(19,20)18-16-7-8-17-15(11-16)6-3-9-21-17/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3
InChIKeyHCODFQCEWVPKJI-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.26
Rot. Bonds4

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

N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110726218) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110726218
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H19NO3S/c1-13-4-2-5-14(10-13)12-22(19,20)18-16-7-8-17-15(11-16)6-3-9-21-17/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3
InChIKeyHCODFQCEWVPKJI-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
CID 110726216
N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110728958
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110399988
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
1-(3-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
CID 16926707

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide (CID 110726218) is N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)CCCO3)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is HCODFQCEWVPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-4-2-5-14(10-13)12-22(19,20)18-16-7-8-17-15(11-16)6-3-9-21-17/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.26, 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-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110726218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).