N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C16H11F6NO2S — CID 138498010

IUPACN-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H11F6NO2S/c17-9-3-1-8(2-4-9)7-23(10-5-6-10)26(24,25)16-14(21)12(19)11(18)13(20)15(16)22/h1-4,10H,5-7H2
InChIKeyDZZXVNOYRCYGFH-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.87
Rot. Bonds5

About N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 138498010) has the molecular formula C16H11F6NO2S and a molecular weight of 395.32 g/mol. Its IUPAC name is N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID138498010
Molecular FormulaC16H11F6NO2S
Molecular Weight395.32 g/mol
Exact Mass395.04
IUPAC NameN-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H11F6NO2S/c17-9-3-1-8(2-4-9)7-23(10-5-6-10)26(24,25)16-14(21)12(19)11(18)13(20)15(16)22/h1-4,10H,5-7H2
InChIKeyDZZXVNOYRCYGFH-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 138498010) is N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is DZZXVNOYRCYGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2S/c17-9-3-1-8(2-4-9)7-23(10-5-6-10)26(24,25)16-14(21)12(19)11(18)13(20)15(16)22/h1-4,10H,5-7H2.
What are the key properties of N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 395.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 138498010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).