4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide

C16H13NO4S — CID 10425832

IUPAC4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C16H13NO4S/c1-11-2-6-14(7-3-11)22(19,20)17-13-5-8-15-12(10-13)4-9-16(18)21-15/h2-10,17H,1H3
InChIKeyORNVOJOVBXRNHD-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.90
Rot. Bonds3

About 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide

4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide (PubChem CID 10425832) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
PubChem CID10425832
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C16H13NO4S/c1-11-2-6-14(7-3-11)22(19,20)17-13-5-8-15-12(10-13)4-9-16(18)21-15/h2-10,17H,1H3
InChIKeyORNVOJOVBXRNHD-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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Related Compounds

N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 60578994
N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
CID 2798637
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30713382
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
2-methyl-5-nitro-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 55865536
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
CID 156580163
N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
CID 63823163
2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide
CID 166397243
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 134040472

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide (CID 10425832) is 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
The InChIKey is ORNVOJOVBXRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-11-2-6-14(7-3-11)22(19,20)17-13-5-8-15-12(10-13)4-9-16(18)21-15/h2-10,17H,1H3.
What are the key properties of 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide?
4-methyl-N-(2-oxochromen-6-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 4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 10425832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).