N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 102874362

IUPACN-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
SMILESNCCCN(C1CCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-12-6-5-11(9-13(12)15)20(18,19)17(8-2-7-16)10-3-1-4-10/h5-6,9-10H,1-4,7-8,16H2
InChIKeyVHTMKXJTBMDFHX-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.86
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide

N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide (PubChem CID 102874362) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
PubChem CID102874362
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
SMILESNCCCN(C1CCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-12-6-5-11(9-13(12)15)20(18,19)17(8-2-7-16)10-3-1-4-10/h5-6,9-10H,1-4,7-8,16H2
InChIKeyVHTMKXJTBMDFHX-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102874343
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 102867609

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide (CID 102874362) is N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide is NCCCN(C1CCC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide?
The InChIKey is VHTMKXJTBMDFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c14-12-6-5-11(9-13(12)15)20(18,19)17(8-2-7-16)10-3-1-4-10/h5-6,9-10H,1-4,7-8,16H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide?
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 102874362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).