N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide

C22H19Cl2NO4S — CID 10073118

IUPACN-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19Cl2NO4S/c1-14(2)29-18-7-9-19(10-8-18)30(27,28)25-21-11-6-17(24)13-20(21)22(26)15-4-3-5-16(23)12-15/h3-14,25H,1-2H3
InChIKeyJHAMCOQIIHXUCE-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.81
Rot. Bonds7

About N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide

N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 10073118) has the molecular formula C22H19Cl2NO4S and a molecular weight of 464.37 g/mol. Its IUPAC name is N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID10073118
Molecular FormulaC22H19Cl2NO4S
Molecular Weight464.37 g/mol
Exact Mass463.04
IUPAC NameN-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19Cl2NO4S/c1-14(2)29-18-7-9-19(10-8-18)30(27,28)25-21-11-6-17(24)13-20(21)22(26)15-4-3-5-16(23)12-15/h3-14,25H,1-2H3
InChIKeyJHAMCOQIIHXUCE-UHFFFAOYSA-N
XLogP5.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 10073118) is N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is JHAMCOQIIHXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO4S/c1-14(2)29-18-7-9-19(10-8-18)30(27,28)25-21-11-6-17(24)13-20(21)22(26)15-4-3-5-16(23)12-15/h3-14,25H,1-2H3.
What are the key properties of N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 464.37 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 10073118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).