N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide

C18H15F4NO3S — CID 164971910

IUPACN-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide
SMILESCC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C18H15F4NO3S/c1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)15-8-14(19)16(20)18(22)17(15)21/h2-5,8,13H,6-7,9H2,1H3
InChIKeyUCTSYDVZCBDXNJ-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide

N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide (PubChem CID 164971910) has the molecular formula C18H15F4NO3S and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide
PubChem CID164971910
Molecular FormulaC18H15F4NO3S
Molecular Weight401.38 g/mol
Exact Mass401.07
IUPAC NameN-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide
SMILESCC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C18H15F4NO3S/c1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)15-8-14(19)16(20)18(22)17(15)21/h2-5,8,13H,6-7,9H2,1H3
InChIKeyUCTSYDVZCBDXNJ-UHFFFAOYSA-N
XLogP3.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide (CID 164971910) is N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide is CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide?
The InChIKey is UCTSYDVZCBDXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO3S/c1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)15-8-14(19)16(20)18(22)17(15)21/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide?
N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide has a molecular weight of 401.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 164971910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).