N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C27H23NO5S — CID 10162430

IUPACN-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Oc3ccccc3)cc1)O2
InChIInChI=1S/C27H23NO5S/c1-31-24-9-6-10-25-26(24)22-16-13-19(28-34(2,29)30)17-23(22)27(33-25)18-11-14-21(15-12-18)32-20-7-4-3-5-8-20/h3-17,27-28H,1-2H3
InChIKeyLJGHNDSRUFUWSJ-UHFFFAOYSA-N
MW473.55 g/mol
LogP6.01
Rot. Bonds6

About N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10162430) has the molecular formula C27H23NO5S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10162430
Molecular FormulaC27H23NO5S
Molecular Weight473.55 g/mol
Exact Mass473.13
IUPAC NameN-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Oc3ccccc3)cc1)O2
InChIInChI=1S/C27H23NO5S/c1-31-24-9-6-10-25-26(24)22-16-13-19(28-34(2,29)30)17-23(22)27(33-25)18-11-14-21(15-12-18)32-20-7-4-3-5-8-20/h3-17,27-28H,1-2H3
InChIKeyLJGHNDSRUFUWSJ-UHFFFAOYSA-N
XLogP6.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[(1z)-1-(10-Methoxydibenzo[b,E]oxepin-11(6h)-Ylidene)propyl]phenyl}methanesulfonamide
CID 72710581
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
N-(7-Bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 9933936
N-(1-Methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10110007
N-(1-Methoxy-6-thiophen-3-yl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10110771
Thiophene-2-sulfonic acid (1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-amide
CID 10138737
N-(1-Hydroxymethyl-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10177869
N-[1-Methoxy-6-(3-methylamino-phenyl)-6H-benzo[c]chromen-8-yl]-methanesulfonamide
CID 10223284
N-(1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10271193
N-(1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-benzenesulfonamide
CID 10297219
N-(1-Difluoromethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 12085089

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10162430) is N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Oc3ccccc3)cc1)O2.
What is the InChIKey of N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is LJGHNDSRUFUWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO5S/c1-31-24-9-6-10-25-26(24)22-16-13-19(28-34(2,29)30)17-23(22)27(33-25)18-11-14-21(15-12-18)32-20-7-4-3-5-8-20/h3-17,27-28H,1-2H3.
What are the key properties of N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 473.55 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-6-(4-phenoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10162430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).