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

C23H24N2O6S2 — CID 10141103

IUPACN-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(N(C)S(C)(=O)=O)c1)O2
InChIInChI=1S/C23H24N2O6S2/c1-25(33(4,28)29)17-8-5-7-15(13-17)23-19-14-16(24-32(3,26)27)11-12-18(19)22-20(30-2)9-6-10-21(22)31-23/h5-14,23-24H,1-4H3
InChIKeyFWHXAZQOQLOSGV-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.61
Rot. Bonds6

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

N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10141103) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10141103
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC NameN-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(N(C)S(C)(=O)=O)c1)O2
InChIInChI=1S/C23H24N2O6S2/c1-25(33(4,28)29)17-8-5-7-15(13-17)23-19-14-16(24-32(3,26)27)11-12-18(19)22-20(30-2)9-6-10-21(22)31-23/h5-14,23-24H,1-4H3
InChIKeyFWHXAZQOQLOSGV-UHFFFAOYSA-N
XLogP3.61
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10141103) is N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(N(C)S(C)(=O)=O)c1)O2.
What is the InChIKey of N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is FWHXAZQOQLOSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-25(33(4,28)29)17-8-5-7-15(13-17)23-19-14-16(24-32(3,26)27)11-12-18(19)22-20(30-2)9-6-10-21(22)31-23/h5-14,23-24H,1-4H3.
What are the key properties of N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 488.59 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10141103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).