3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide

C15H12ClF2NO4S — CID 2466269

IUPAC3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClF2NO4S/c1-9(20)10-3-2-4-12(7-10)24(21,22)19-11-5-6-14(13(16)8-11)23-15(17)18/h2-8,15,19H,1H3
InChIKeyYVYSKSAKAMAAEO-UHFFFAOYSA-N
MW375.78 g/mol
LogP3.94
Rot. Bonds6

About 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide

3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 2466269) has the molecular formula C15H12ClF2NO4S and a molecular weight of 375.78 g/mol. Its IUPAC name is 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
PubChem CID2466269
Molecular FormulaC15H12ClF2NO4S
Molecular Weight375.78 g/mol
Exact Mass375.01
IUPAC Name3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClF2NO4S/c1-9(20)10-3-2-4-12(7-10)24(21,22)19-11-5-6-14(13(16)8-11)23-15(17)18/h2-8,15,19H,1H3
InChIKeyYVYSKSAKAMAAEO-UHFFFAOYSA-N
XLogP3.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666
S-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56506575
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
CID 26247982
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 39829528
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide (CID 2466269) is 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is YVYSKSAKAMAAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO4S/c1-9(20)10-3-2-4-12(7-10)24(21,22)19-11-5-6-14(13(16)8-11)23-15(17)18/h2-8,15,19H,1H3.
What are the key properties of 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide?
3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 375.78 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 2466269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).