N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide

C19H13Cl2NO3S — CID 90665331

IUPACN-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
SMILESO=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H13Cl2NO3S/c20-15-9-10-18(17(21)12-15)26(24,25)22-16-8-4-7-14(11-16)19(23)13-5-2-1-3-6-13/h1-12,22H
InChIKeyKLHUDMURQSAHAW-UHFFFAOYSA-N
MW406.29 g/mol
LogP5.03
Rot. Bonds5

About N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide

N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide (PubChem CID 90665331) has the molecular formula C19H13Cl2NO3S and a molecular weight of 406.29 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
PubChem CID90665331
Molecular FormulaC19H13Cl2NO3S
Molecular Weight406.29 g/mol
Exact Mass405.00
IUPAC NameN-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
SMILESO=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H13Cl2NO3S/c20-15-9-10-18(17(21)12-15)26(24,25)22-16-8-4-7-14(11-16)19(23)13-5-2-1-3-6-13/h1-12,22H
InChIKeyKLHUDMURQSAHAW-UHFFFAOYSA-N
XLogP5.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid
CID 510781
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
CID 75414770
3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
CID 134057882

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide (CID 90665331) is N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide is O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide?
The InChIKey is KLHUDMURQSAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO3S/c20-15-9-10-18(17(21)12-15)26(24,25)22-16-8-4-7-14(11-16)19(23)13-5-2-1-3-6-13/h1-12,22H.
What are the key properties of N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide?
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide has a molecular weight of 406.29 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 90665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).