N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide

C17H14N2O5S — CID 134040442

IUPACN-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C17H14N2O5S/c1-18-17(21)12-3-2-4-13(9-12)19-25(22,23)14-6-7-15-11(10-14)5-8-16(20)24-15/h2-10,19H,1H3,(H,18,21)
InChIKeyKKALQYWDTNVFRA-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.95
Rot. Bonds4

About N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide

N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide (PubChem CID 134040442) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
PubChem CID134040442
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC NameN-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C17H14N2O5S/c1-18-17(21)12-3-2-4-13(9-12)19-25(22,23)14-6-7-15-11(10-14)5-8-16(20)24-15/h2-10,19H,1H3,(H,18,21)
InChIKeyKKALQYWDTNVFRA-UHFFFAOYSA-N
XLogP1.95
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 134040472
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 30713520

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide (CID 134040442) is N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide is CNC(=O)c1cccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1.
What is the InChIKey of N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide?
The InChIKey is KKALQYWDTNVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-18-17(21)12-3-2-4-13(9-12)19-25(22,23)14-6-7-15-11(10-14)5-8-16(20)24-15/h2-10,19H,1H3,(H,18,21).
What are the key properties of N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide?
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide has a molecular weight of 358.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 134040442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).