N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide

C10H13F3N2O2S — CID 115319073

IUPACN-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H13F3N2O2S/c1-15(6-2-5-14)18(16,17)8-4-3-7(11)9(12)10(8)13/h3-4H,2,5-6,14H2,1H3
InChIKeyOOSVEIZKJXMGHT-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.07
Rot. Bonds5

About N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide

N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide (PubChem CID 115319073) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
PubChem CID115319073
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H13F3N2O2S/c1-15(6-2-5-14)18(16,17)8-4-3-7(11)9(12)10(8)13/h3-4H,2,5-6,14H2,1H3
InChIKeyOOSVEIZKJXMGHT-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N-(3-aminopropyl)-4-chloro-N-methyl-2-nitrobenzenesulfonamide
CID 115319044
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 113285759
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide (CID 115319073) is N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
The InChIKey is OOSVEIZKJXMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-15(6-2-5-14)18(16,17)8-4-3-7(11)9(12)10(8)13/h3-4H,2,5-6,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 115319073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).