[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate

C17H17NO5S — CID 7102005

IUPAC[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CCOc3ccccc32)cc1
InChIInChI=1S/C17H17NO5S/c1-12-6-8-13(9-7-12)24(20,21)18-17(19)23-16-10-11-22-15-5-3-2-4-14(15)16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyRYQDCXBFQJDPFZ-MRXNPFEDSA-N
MW347.39 g/mol
LogP2.93
Rot. Bonds3

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

[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 7102005) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
PubChem CID7102005
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CCOc3ccccc32)cc1
InChIInChI=1S/C17H17NO5S/c1-12-6-8-13(9-7-12)24(20,21)18-17(19)23-16-10-11-22-15-5-3-2-4-14(15)16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyRYQDCXBFQJDPFZ-MRXNPFEDSA-N
XLogP2.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,4S)-4-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 11005717
[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate
CID 10688596
3,4-dihydro-2H-chromen-4-yl 2,2-dimethylbutanoate
CID 58031028
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate
CID 119045683
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfamoyl)benzoic acid
CID 110709324
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 46679708
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate (CID 7102005) is [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CCOc3ccccc32)cc1.
What is the InChIKey of [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is RYQDCXBFQJDPFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-12-6-8-13(9-7-12)24(20,21)18-17(19)23-16-10-11-22-15-5-3-2-4-14(15)16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate?
[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 347.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 7102005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).