N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide

C11H16FN3O3S — CID 119385406

IUPACN-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESNCCNC(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H16FN3O3S/c12-9-3-1-2-4-10(9)19(17,18)15-7-5-11(16)14-8-6-13/h1-4,15H,5-8,13H2,(H,14,16)
InChIKeyWRSAOBIMKNQZNV-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.43
Rot. Bonds7

About N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide

N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 119385406) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID119385406
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC NameN-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESNCCNC(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H16FN3O3S/c12-9-3-1-2-4-10(9)19(17,18)15-7-5-11(16)14-8-6-13/h1-4,15H,5-8,13H2,(H,14,16)
InChIKeyWRSAOBIMKNQZNV-UHFFFAOYSA-N
XLogP-0.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350084
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119499470
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 27550113
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
CID 25481946
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119634497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide (CID 119385406) is N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide is NCCNC(=O)CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is WRSAOBIMKNQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c12-9-3-1-2-4-10(9)19(17,18)15-7-5-11(16)14-8-6-13/h1-4,15H,5-8,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide?
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 289.33 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119385406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).