2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide

C19H13Cl2NO3S — CID 11750102

IUPAC2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2NO3S/c20-15-9-10-17(18(21)12-15)19(23)22-26(24,25)16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12H,(H,22,23)
InChIKeyRAPSBRSLJYPUQC-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.78
Rot. Bonds4

About 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide

2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide (PubChem CID 11750102) has the molecular formula C19H13Cl2NO3S and a molecular weight of 406.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide
PubChem CID11750102
Molecular FormulaC19H13Cl2NO3S
Molecular Weight406.29 g/mol
Exact Mass405.00
IUPAC Name2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2NO3S/c20-15-9-10-17(18(21)12-15)19(23)22-26(24,25)16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12H,(H,22,23)
InChIKeyRAPSBRSLJYPUQC-UHFFFAOYSA-N
XLogP4.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,4-dichlorobenzoyl]phenylsulfonamide
CID 9968373
2,4-Dichloro-5-sulfamoylbenzamide
CID 12698190
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
LY-33169
CID 10021712
2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
CID 11176518
2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide
CID 11188738
N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide
CID 11200665
2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide
CID 11244838
2,4-dichloro-N-(3-chlorophenyl)sulfonylbenzamide
CID 11245472
2,4-dichloro-N-(3-chloro-4-methylphenyl)sulfonylbenzamide
CID 11245920
2,4-dichloro-N-(3-methylphenyl)sulfonylbenzamide
CID 11393780
N-(4-bromophenyl)sulfonyl-2,4-dichlorobenzamide
CID 11441201

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide (CID 11750102) is 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide?
The InChIKey is RAPSBRSLJYPUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO3S/c20-15-9-10-17(18(21)12-15)19(23)22-26(24,25)16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12H,(H,22,23).
What are the key properties of 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide?
2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide has a molecular weight of 406.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-phenylphenyl)sulfonylbenzamide is sourced from PubChem (CID 11750102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).