N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide

C17H15NO4S — CID 30713094

IUPACN-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H15NO4S/c1-2-18(14-6-4-3-5-7-14)23(20,21)15-9-10-16-13(12-15)8-11-17(19)22-16/h3-12H,2H2,1H3
InChIKeyDZOACDSZXPXFIE-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide

N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide (PubChem CID 30713094) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
PubChem CID30713094
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H15NO4S/c1-2-18(14-6-4-3-5-7-14)23(20,21)15-9-10-16-13(12-15)8-11-17(19)22-16/h3-12H,2H2,1H3
InChIKeyDZOACDSZXPXFIE-UHFFFAOYSA-N
XLogP3.01
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 54879507
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 39983320
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
N-(azetidin-3-yl)-N-methyl-2-oxochromene-6-sulfonamide
CID 66186859
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide?
The IUPAC name of N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide (CID 30713094) is N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide.
What is the SMILES notation for N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide?
The canonical SMILES for N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide?
The InChIKey is DZOACDSZXPXFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-2-18(14-6-4-3-5-7-14)23(20,21)15-9-10-16-13(12-15)8-11-17(19)22-16/h3-12H,2H2,1H3.
What are the key properties of N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide?
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide is sourced from PubChem (CID 30713094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).