2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide

C16H17NO4S — CID 70187609

IUPAC2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCc2oc(=O)ccc2C1
InChIInChI=1S/C16H17NO4S/c1-11-4-2-3-5-15(11)22(19,20)17-13-7-8-14-12(10-13)6-9-16(18)21-14/h2-6,9,13,17H,7-8,10H2,1H3
InChIKeyTXBSZAAOZHWYSV-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide

2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide (PubChem CID 70187609) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide
PubChem CID70187609
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCc2oc(=O)ccc2C1
InChIInChI=1S/C16H17NO4S/c1-11-4-2-3-5-15(11)22(19,20)17-13-7-8-14-12(10-13)6-9-16(18)21-14/h2-6,9,13,17H,7-8,10H2,1H3
InChIKeyTXBSZAAOZHWYSV-UHFFFAOYSA-N
XLogP1.78
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide (CID 70187609) is 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CCc2oc(=O)ccc2C1.
What is the InChIKey of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide?
The InChIKey is TXBSZAAOZHWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-4-2-3-5-15(11)22(19,20)17-13-7-8-14-12(10-13)6-9-16(18)21-14/h2-6,9,13,17H,7-8,10H2,1H3.
What are the key properties of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide?
2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 70187609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).