N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide

C18H22F2N2O2S — CID 171343785

IUPACN-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C18H22F2N2O2S/c19-15-8-9-17(18(20)13-15)14-6-5-7-16(12-14)25(23,24)22-11-4-2-1-3-10-21/h5-9,12-13,22H,1-4,10-11,21H2
InChIKeyICQXOTCOJSNEON-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.43
Rot. Bonds9

About N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide

N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 171343785) has the molecular formula C18H22F2N2O2S and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID171343785
Molecular FormulaC18H22F2N2O2S
Molecular Weight368.45 g/mol
Exact Mass368.14
IUPAC NameN-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide
SMILESNCCCCCCNS(=O)(=O)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C18H22F2N2O2S/c19-15-8-9-17(18(20)13-15)14-6-5-7-16(12-14)25(23,24)22-11-4-2-1-3-10-21/h5-9,12-13,22H,1-4,10-11,21H2
InChIKeyICQXOTCOJSNEON-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.43
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-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide (CID 171343785) is N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide is NCCCCCCNS(=O)(=O)c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is ICQXOTCOJSNEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2S/c19-15-8-9-17(18(20)13-15)14-6-5-7-16(12-14)25(23,24)22-11-4-2-1-3-10-21/h5-9,12-13,22H,1-4,10-11,21H2.
What are the key properties of N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide?
N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 368.45 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 171343785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).