3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one

C115H73Cl5F3NO29S7 — CID 158191622

IUPAC3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one
SMILESCc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F.O=C(NCCc1ccccc1)c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)cc1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(F)c(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1cccc(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H19NO5S.C16H11FO4S.C15H8Cl2O4S.C15H8ClFO4S.2C15H9ClO4S.C15H9FO4S/c26-23(25-14-13-17-7-3-1-4-8-17)18-11-12-21-19(15-18)16-22(24(27)30-21)31(28,29)20-9-5-2-6-10-20;1-10-8-12(6-7-13(10)17)22(19,20)15-9-11-4-2-3-5-14(11)21-16(15)18;16-11-6-5-10(8-12(11)17)22(19,20)14-7-9-3-1-2-4-13(9)21-15(14)18;16-11-8-10(5-6-12(11)17)22(19,20)14-7-9-3-1-2-4-13(9)21-15(14)18;16-11-5-3-6-12(9-11)21(18,19)14-8-10-4-1-2-7-13(10)20-15(14)17;16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17;16-11-6-2-4-8-13(11)21(18,19)14-9-10-5-1-3-7-12(10)20-15(14)17/h1-12,15-16H,13-14H2,(H,25,26);2-9H,1H3;2*1-8H;3*1-9H
InChIKeyFZVCPVPUJVDKCR-UHFFFAOYSA-N
MW2391.55 g/mol
LogP23.35
Rot. Bonds18

About 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one

3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one (PubChem CID 158191622) has the molecular formula C115H73Cl5F3NO29S7 and a molecular weight of 2391.55 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one
PubChem CID158191622
Molecular FormulaC115H73Cl5F3NO29S7
Molecular Weight2391.55 g/mol
Exact Mass2387.07
IUPAC Name3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one
SMILESCc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F.O=C(NCCc1ccccc1)c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)cc1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(F)c(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1cccc(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H19NO5S.C16H11FO4S.C15H8Cl2O4S.C15H8ClFO4S.2C15H9ClO4S.C15H9FO4S/c26-23(25-14-13-17-7-3-1-4-8-17)18-11-12-21-19(15-18)16-22(24(27)30-21)31(28,29)20-9-5-2-6-10-20;1-10-8-12(6-7-13(10)17)22(19,20)15-9-11-4-2-3-5-14(11)21-16(15)18;16-11-6-5-10(8-12(11)17)22(19,20)14-7-9-3-1-2-4-13(9)21-15(14)18;16-11-8-10(5-6-12(11)17)22(19,20)14-7-9-3-1-2-4-13(9)21-15(14)18;16-11-5-3-6-12(9-11)21(18,19)14-8-10-4-1-2-7-13(10)20-15(14)17;16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17;16-11-6-2-4-8-13(11)21(18,19)14-9-10-5-1-3-7-12(10)20-15(14)17/h1-12,15-16H,13-14H2,(H,25,26);2-9H,1H3;2*1-8H;3*1-9H
InChIKeyFZVCPVPUJVDKCR-UHFFFAOYSA-N
XLogP23.35
TPSA479.55 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.55
LogP ≤ 523.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one?
The IUPAC name of 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one (CID 158191622) is 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one is Cc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F.O=C(NCCc1ccccc1)c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)cc1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(F)c(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1cccc(Cl)c1.O=c1oc2ccccc2cc1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one?
The InChIKey is FZVCPVPUJVDKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5S.C16H11FO4S.C15H8Cl2O4S.C15H8ClFO4S.2C15H9ClO4S.C15H9FO4S/c26-23(25-14-13-17-7-3-1-4-8-17)18-11-12-21-19(15-18)16-22(24(27)30-21)31(28,29)20-9-5-2-6-10-20;1-10-8-12(6-7-13(10)17)22(19,20)15-9-11-4-2-3-5-14(11)21-16(15)18;16-11-6-5-10(8-12(11)17)22(19,20)14-7-9-3-1-2-4-13(9)21-15(14)18;16-11-8-10(5-6-12(11)17)22(19,20)14-7-9-3-1-2-4-13(9)21-15(14)18;16-11-5-3-6-12(9-11)21(18,19)14-8-10-4-1-2-7-13(10)20-15(14)17;16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17;16-11-6-2-4-8-13(11)21(18,19)14-9-10-5-1-3-7-12(10)20-15(14)17/h1-12,15-16H,13-14H2,(H,25,26);2-9H,1H3;2*1-8H;3*1-9H.
What are the key properties of 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one?
3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one has a molecular weight of 2391.55 g/mol, XLogP of 23.35, 18 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-oxo-N-(2-phenylethyl)chromene-6-carboxamide;3-(3-chloro-4-fluorophenyl)sulfonylchromen-2-one;3-(3-chlorophenyl)sulfonylchromen-2-one;3-(4-chlorophenyl)sulfonylchromen-2-one;3-(3,4-dichlorophenyl)sulfonylchromen-2-one;3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one;3-(2-fluorophenyl)sulfonylchromen-2-one is sourced from PubChem (CID 158191622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).