4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide

C18H19F2NO5S — CID 8817900

IUPAC4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO5S/c1-12(22)14-4-6-15(7-5-14)27(23,24)21-10-9-13-3-8-16(26-18(19)20)17(11-13)25-2/h3-8,11,18,21H,9-10H2,1-2H3
InChIKeyMFHGVCJOSZSFKF-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.02
Rot. Bonds9

About 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide

4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide (PubChem CID 8817900) has the molecular formula C18H19F2NO5S and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
PubChem CID8817900
Molecular FormulaC18H19F2NO5S
Molecular Weight399.42 g/mol
Exact Mass399.10
IUPAC Name4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO5S/c1-12(22)14-4-6-15(7-5-14)27(23,24)21-10-9-13-3-8-16(26-18(19)20)17(11-13)25-2/h3-8,11,18,21H,9-10H2,1-2H3
InChIKeyMFHGVCJOSZSFKF-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 46820900
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 17424738
1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide
CID 83085287
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 41262425
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide (CID 8817900) is 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide is COc1cc(CCNS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1OC(F)F.
What is the InChIKey of 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide?
The InChIKey is MFHGVCJOSZSFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO5S/c1-12(22)14-4-6-15(7-5-14)27(23,24)21-10-9-13-3-8-16(26-18(19)20)17(11-13)25-2/h3-8,11,18,21H,9-10H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide?
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide has a molecular weight of 399.42 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 8817900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).