N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide

C20H19NO4S — CID 24661787

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)C2CC2)cc1
InChIInChI=1S/C20H19NO4S/c1-13-2-4-14(5-3-13)20(15-6-7-15)21-26(23,24)17-9-10-18-16(12-17)8-11-19(22)25-18/h2-5,8-12,15,20-21H,6-7H2,1H3
InChIKeyXJLBOVKRMHELOM-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.53
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide

N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide (PubChem CID 24661787) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide
PubChem CID24661787
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)C2CC2)cc1
InChIInChI=1S/C20H19NO4S/c1-13-2-4-14(5-3-13)20(15-6-7-15)21-26(23,24)17-9-10-18-16(12-17)8-11-19(22)25-18/h2-5,8-12,15,20-21H,6-7H2,1H3
InChIKeyXJLBOVKRMHELOM-UHFFFAOYSA-N
XLogP3.53
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.53
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

4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide
CID 18131238
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxochromene-6-sulfonamide
CID 55544736
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 24677974
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
CID 134002352
N-[1-(3-chlorophenyl)ethyl]-2-oxochromene-6-sulfonamide
CID 134002377
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide (CID 24661787) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide is Cc1ccc(C(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide?
The InChIKey is XJLBOVKRMHELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-13-2-4-14(5-3-13)20(15-6-7-15)21-26(23,24)17-9-10-18-16(12-17)8-11-19(22)25-18/h2-5,8-12,15,20-21H,6-7H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide has a molecular weight of 369.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 24661787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).