N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide

C19H24F2N2O2S — CID 171354450

IUPACN-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide
SMILESNCCCCCCCNS(=O)(=O)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C19H24F2N2O2S/c20-16-9-10-18(19(21)14-16)15-7-6-8-17(13-15)26(24,25)23-12-5-3-1-2-4-11-22/h6-10,13-14,23H,1-5,11-12,22H2
InChIKeyRSWBJVKEFOVGPP-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.82
Rot. Bonds10

About N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide

N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 171354450) has the molecular formula C19H24F2N2O2S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID171354450
Molecular FormulaC19H24F2N2O2S
Molecular Weight382.48 g/mol
Exact Mass382.15
IUPAC NameN-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide
SMILESNCCCCCCCNS(=O)(=O)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C19H24F2N2O2S/c20-16-9-10-18(19(21)14-16)15-7-6-8-17(13-15)26(24,25)23-12-5-3-1-2-4-11-22/h6-10,13-14,23H,1-5,11-12,22H2
InChIKeyRSWBJVKEFOVGPP-UHFFFAOYSA-N
XLogP3.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide (CID 171354450) is N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide is NCCCCCCCNS(=O)(=O)c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is RSWBJVKEFOVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2S/c20-16-9-10-18(19(21)14-16)15-7-6-8-17(13-15)26(24,25)23-12-5-3-1-2-4-11-22/h6-10,13-14,23H,1-5,11-12,22H2.
What are the key properties of N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 382.48 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 171354450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).