2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide

C20H13Cl2NO3S — CID 90665335

IUPAC2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide
SMILESCN(c1ccc2c(c1)C(=O)c1ccccc1-2)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2NO3S/c1-23(27(25,26)19-9-6-12(21)10-18(19)22)13-7-8-15-14-4-2-3-5-16(14)20(24)17(15)11-13/h2-11H,1H3
InChIKeyLWUDAVDXTQAJKT-UHFFFAOYSA-N
MW418.30 g/mol
LogP5.03
Rot. Bonds3

About 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide

2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide (PubChem CID 90665335) has the molecular formula C20H13Cl2NO3S and a molecular weight of 418.30 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide
PubChem CID90665335
Molecular FormulaC20H13Cl2NO3S
Molecular Weight418.30 g/mol
Exact Mass417.00
IUPAC Name2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide
SMILESCN(c1ccc2c(c1)C(=O)c1ccccc1-2)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2NO3S/c1-23(27(25,26)19-9-6-12(21)10-18(19)22)13-7-8-15-14-4-2-3-5-16(14)20(24)17(15)11-13/h2-11H,1H3
InChIKeyLWUDAVDXTQAJKT-UHFFFAOYSA-N
XLogP5.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.30
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide (CID 90665335) is 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide is CN(c1ccc2c(c1)C(=O)c1ccccc1-2)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide?
The InChIKey is LWUDAVDXTQAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO3S/c1-23(27(25,26)19-9-6-12(21)10-18(19)22)13-7-8-15-14-4-2-3-5-16(14)20(24)17(15)11-13/h2-11H,1H3.
What are the key properties of 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide?
2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide has a molecular weight of 418.30 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide is sourced from PubChem (CID 90665335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).