N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide

C23H18FNO4S — CID 39983320

IUPACN-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide
SMILESCN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C23H18FNO4S/c1-25(23(16-5-3-2-4-6-16)17-7-10-19(24)11-8-17)30(27,28)20-12-13-21-18(15-20)9-14-22(26)29-21/h2-15,23H,1H3/t23-/m1/s1
InChIKeyHKQBMCHFQAQYMD-HSZRJFAPSA-N
MW423.47 g/mol
LogP4.34
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide

N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide (PubChem CID 39983320) has the molecular formula C23H18FNO4S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide
PubChem CID39983320
Molecular FormulaC23H18FNO4S
Molecular Weight423.47 g/mol
Exact Mass423.09
IUPAC NameN-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide
SMILESCN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C23H18FNO4S/c1-25(23(16-5-3-2-4-6-16)17-7-10-19(24)11-8-17)30(27,28)20-12-13-21-18(15-20)9-14-22(26)29-21/h2-15,23H,1H3/t23-/m1/s1
InChIKeyHKQBMCHFQAQYMD-HSZRJFAPSA-N
XLogP4.34
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.34
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

4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
CID 138999298
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 24677974
N-(azetidin-3-yl)-N-methyl-2-oxochromene-6-sulfonamide
CID 66186859
N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 54879507
N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31111887
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 31534328
3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
CID 139014948
N-methyl-2-oxo-N-(thian-4-yl)chromene-6-sulfonamide
CID 171913334
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 31534344
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide (CID 39983320) is N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide is CN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide?
The InChIKey is HKQBMCHFQAQYMD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18FNO4S/c1-25(23(16-5-3-2-4-6-16)17-7-10-19(24)11-8-17)30(27,28)20-12-13-21-18(15-20)9-14-22(26)29-21/h2-15,23H,1H3/t23-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide?
N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide has a molecular weight of 423.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 39983320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).