N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H23ClN2O3S — CID 10275194

IUPACN-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCN(C)c1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C23H23ClN2O3S/c1-4-26(2)20-9-6-10-21-22(20)18-12-11-17(25-30(3,27)28)14-19(18)23(29-21)15-7-5-8-16(24)13-15/h5-14,23,25H,4H2,1-3H3
InChIKeyUZZRRMTTZTXDOD-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.32
Rot. Bonds5

About N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10275194) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10275194
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCN(C)c1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C23H23ClN2O3S/c1-4-26(2)20-9-6-10-21-22(20)18-12-11-17(25-30(3,27)28)14-19(18)23(29-21)15-7-5-8-16(24)13-15/h5-14,23,25H,4H2,1-3H3
InChIKeyUZZRRMTTZTXDOD-UHFFFAOYSA-N
XLogP5.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10275194) is N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide is CCN(C)c1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(Cl)c1)O2.
What is the InChIKey of N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is UZZRRMTTZTXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-4-26(2)20-9-6-10-21-22(20)18-12-11-17(25-30(3,27)28)14-19(18)23(29-21)15-7-5-8-16(24)13-15/h5-14,23,25H,4H2,1-3H3.
What are the key properties of N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 442.97 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10275194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).