N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H18N2O4S — CID 10158247

IUPACN-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(C#N)c1)O2
InChIInChI=1S/C22H18N2O4S/c1-27-19-7-4-8-20-21(19)17-10-9-16(24-29(2,25)26)12-18(17)22(28-20)15-6-3-5-14(11-15)13-23/h3-12,22,24H,1-2H3
InChIKeyASTXKRNXZNELRF-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.09
Rot. Bonds4

About N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10158247) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10158247
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(C#N)c1)O2
InChIInChI=1S/C22H18N2O4S/c1-27-19-7-4-8-20-21(19)17-10-9-16(24-29(2,25)26)12-18(17)22(28-20)15-6-3-5-14(11-15)13-23/h3-12,22,24H,1-2H3
InChIKeyASTXKRNXZNELRF-UHFFFAOYSA-N
XLogP4.09
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[3-(3-cyanopropyl)phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10182279
N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10141103
N-[6-[3-(4-cyanobutyl)phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10276481
N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10138813
N-(1-methoxy-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 10177943
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
CID 10297219
N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10202414
ethyl (E)-4-[3-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]phenoxy]but-2-enoate
CID 70166966
N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10223102
N-[6-(3,4-dimethoxyphenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10182964
N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10275194
N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10140990

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10158247) is N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(C#N)c1)O2.
What is the InChIKey of N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is ASTXKRNXZNELRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-27-19-7-4-8-20-21(19)17-10-9-16(24-29(2,25)26)12-18(17)22(28-20)15-6-3-5-14(11-15)13-23/h3-12,22,24H,1-2H3.
What are the key properties of N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10158247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).