N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide

C19H16N2O5S — CID 134040472

IUPACN-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1)C1CC1
InChIInChI=1S/C19H16N2O5S/c22-18-10-3-13-11-16(8-9-17(13)26-18)27(24,25)21-15-6-4-14(5-7-15)20-19(23)12-1-2-12/h3-12,21H,1-2H2,(H,20,23)
InChIKeyOTKXBSYJWZMEEH-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 134040472) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID134040472
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC NameN-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1)C1CC1
InChIInChI=1S/C19H16N2O5S/c22-18-10-3-13-11-16(8-9-17(13)26-18)27(24,25)21-15-6-4-14(5-7-15)20-19(23)12-1-2-12/h3-12,21H,1-2H2,(H,20,23)
InChIKeyOTKXBSYJWZMEEH-UHFFFAOYSA-N
XLogP2.94
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119300608
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30287313
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30713382
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]cyclopentanecarboxamide
CID 9330132
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]oxane-4-carboxamide
CID 55376695
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 134040472) is N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1)C1CC1.
What is the InChIKey of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is OTKXBSYJWZMEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-18-10-3-13-11-16(8-9-17(13)26-18)27(24,25)21-15-6-4-14(5-7-15)20-19(23)12-1-2-12/h3-12,21H,1-2H2,(H,20,23).
What are the key properties of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134040472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).