N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide

C17H15NO4S — CID 935157

IUPACN-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C17H15NO4S/c1-11-7-12(2)9-14(8-11)18-23(20,21)15-4-5-16-13(10-15)3-6-17(19)22-16/h3-10,18H,1-2H3
InChIKeyBFBMFTJURFFEFB-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.21
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide

N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide (PubChem CID 935157) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide
PubChem CID935157
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C17H15NO4S/c1-11-7-12(2)9-14(8-11)18-23(20,21)15-4-5-16-13(10-15)3-6-17(19)22-16/h3-10,18H,1-2H3
InChIKeyBFBMFTJURFFEFB-UHFFFAOYSA-N
XLogP3.21
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide (CID 935157) is N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide?
The InChIKey is BFBMFTJURFFEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-11-7-12(2)9-14(8-11)18-23(20,21)15-4-5-16-13(10-15)3-6-17(19)22-16/h3-10,18H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide?
N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 935157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).