2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide

C16H17NO4S — CID 19367284

IUPAC2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc2c(oc1=O)CCCC2
InChIInChI=1S/C16H17NO4S/c1-11-6-2-5-9-15(11)22(19,20)17-13-10-12-7-3-4-8-14(12)21-16(13)18/h2,5-6,9-10,17H,3-4,7-8H2,1H3
InChIKeyAZZYKMLQJKUCLV-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide

2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide (PubChem CID 19367284) 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-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide
PubChem CID19367284
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc2c(oc1=O)CCCC2
InChIInChI=1S/C16H17NO4S/c1-11-6-2-5-9-15(11)22(19,20)17-13-10-12-7-3-4-8-14(12)21-16(13)18/h2,5-6,9-10,17H,3-4,7-8H2,1H3
InChIKeyAZZYKMLQJKUCLV-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 3483588
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 7312222
2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride
CID 165459780
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2-methylbenzenesulfonamide
CID 15996493
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-methyl-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 4873389
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide (CID 19367284) is 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cc2c(oc1=O)CCCC2.
What is the InChIKey of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide?
The InChIKey is AZZYKMLQJKUCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-6-2-5-9-15(11)22(19,20)17-13-10-12-7-3-4-8-14(12)21-16(13)18/h2,5-6,9-10,17H,3-4,7-8H2,1H3.
What are the key properties of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide?
2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-3-yl)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.63, 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-3-yl)benzenesulfonamide is sourced from PubChem (CID 19367284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).