N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide

C12H17FN2O2S — CID 43136997

IUPACN-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2S/c13-10-3-1-4-12(9-10)18(16,17)15(8-2-7-14)11-5-6-11/h1,3-4,9,11H,2,5-8,14H2
InChIKeyDZPQEWHRLYSXDU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.33
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide

N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide (PubChem CID 43136997) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
PubChem CID43136997
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2S/c13-10-3-1-4-12(9-10)18(16,17)15(8-2-7-14)11-5-6-11/h1,3-4,9,11H,2,5-8,14H2
InChIKeyDZPQEWHRLYSXDU-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102874343
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61444206

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide (CID 43136997) is N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide is NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide?
The InChIKey is DZPQEWHRLYSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-10-3-1-4-12(9-10)18(16,17)15(8-2-7-14)11-5-6-11/h1,3-4,9,11H,2,5-8,14H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.33, 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-cyclopropyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43136997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).