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

C22H22N2O4S — CID 10223284

IUPACN-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCNc1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C22H22N2O4S/c1-23-15-7-4-6-14(12-15)22-18-13-16(24-29(3,25)26)10-11-17(18)21-19(27-2)8-5-9-20(21)28-22/h4-13,22-24H,1-3H3
InChIKeyJZDXQXQFWMXKGG-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.26
Rot. Bonds5

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

N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10223284) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10223284
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCNc1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C22H22N2O4S/c1-23-15-7-4-6-14(12-15)22-18-13-16(24-29(3,25)26)10-11-17(18)21-19(27-2)8-5-9-20(21)28-22/h4-13,22-24H,1-3H3
InChIKeyJZDXQXQFWMXKGG-UHFFFAOYSA-N
XLogP4.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

10-methoxy-5-(2-propenyl)-2,5-dihydro-2,2,4-trimethyl-1H-(1)benzopyrano(3,4-f)quinoline
CID 9906282
5-[(E)-but-2-enyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 9863751
N-(1-Methoxy-6-m-tolyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 9952569
1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-ylamine
CID 18189209
(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinoline
CID 10092463
5-Cyclohept-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 44293372
10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9821393
10-Methoxy-2,2,4-trimethyl-5-(3-methylsulfanylmethoxy-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9825465
10-Methoxy-2,2,4-trimethyl-5-(3-trifluoromethyl-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9890023
10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9901180
5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9925244
N-(7-Bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 9933936

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10223284) is N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is CNc1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1.
What is the InChIKey of N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is JZDXQXQFWMXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-23-15-7-4-6-14(12-15)22-18-13-16(24-29(3,25)26)10-11-17(18)21-19(27-2)8-5-9-20(21)28-22/h4-13,22-24H,1-3H3.
What are the key properties of N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-6-[3-(methylamino)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10223284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).