N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide

C16H13NO4S — CID 2813126

IUPACN-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
SMILESCc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C16H13NO4S/c1-11-9-16(18)21-15-10-12(7-8-14(11)15)17-22(19,20)13-5-3-2-4-6-13/h2-10,17H,1H3
InChIKeyNUWZWXYSZGAPCD-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.90
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide

N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide (PubChem CID 2813126) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
PubChem CID2813126
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
SMILESCc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C16H13NO4S/c1-11-9-16(18)21-15-10-12(7-8-14(11)15)17-22(19,20)13-5-3-2-4-6-13/h2-10,17H,1H3
InChIKeyNUWZWXYSZGAPCD-UHFFFAOYSA-N
XLogP2.90
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.90
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-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide (CID 2813126) is N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide is Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
The InChIKey is NUWZWXYSZGAPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-11-9-16(18)21-15-10-12(7-8-14(11)15)17-22(19,20)13-5-3-2-4-6-13/h2-10,17H,1H3.
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide is sourced from PubChem (CID 2813126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).