N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide

C14H11Cl2NO3S — CID 3702970

IUPACN-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NO3S/c1-9(18)10-3-2-4-11(7-10)17-21(19,20)12-5-6-13(15)14(16)8-12/h2-8,17H,1H3
InChIKeyVQTXGKSMUNKGGO-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.00
Rot. Bonds4

About N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide

N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 3702970) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID3702970
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC NameN-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NO3S/c1-9(18)10-3-2-4-11(7-10)17-21(19,20)12-5-6-13(15)14(16)8-12/h2-8,17H,1H3
InChIKeyVQTXGKSMUNKGGO-UHFFFAOYSA-N
XLogP4.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
N-(3-acetylphenyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 33010320
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide (CID 3702970) is N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is VQTXGKSMUNKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-9(18)10-3-2-4-11(7-10)17-21(19,20)12-5-6-13(15)14(16)8-12/h2-8,17H,1H3.
What are the key properties of N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide?
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 344.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 3702970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).