N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride

C13H21ClFN3O3S — CID 119499470

IUPACN-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCNS(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C13H20FN3O3S.ClH/c1-10(15)6-8-16-13(18)7-9-17-21(19,20)12-5-3-2-4-11(12)14;/h2-5,10,17H,6-9,15H2,1H3,(H,16,18);1H
InChIKeyFLJUQKWZGZRVQI-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.77
Rot. Bonds8

About N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride

N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119499470) has the molecular formula C13H21ClFN3O3S and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119499470
Molecular FormulaC13H21ClFN3O3S
Molecular Weight353.85 g/mol
Exact Mass353.10
IUPAC NameN-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCNS(=O)(=O)c1ccccc1F.Cl
InChIInChI=1S/C13H20FN3O3S.ClH/c1-10(15)6-8-16-13(18)7-9-17-21(19,20)12-5-3-2-4-11(12)14;/h2-5,10,17H,6-9,15H2,1H3,(H,16,18);1H
InChIKeyFLJUQKWZGZRVQI-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406
2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350084
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
N-[(3S)-3-aminobutyl]-3-fluoro-2-methylbenzenesulfonamide
CID 99819169
methyl 2-(3-aminobutylsulfamoyl)-6-fluorobenzoate
CID 119972822
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride (CID 119499470) is N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride is CC(N)CCNC(=O)CCNS(=O)(=O)c1ccccc1F.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is FLJUQKWZGZRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S.ClH/c1-10(15)6-8-16-13(18)7-9-17-21(19,20)12-5-3-2-4-11(12)14;/h2-5,10,17H,6-9,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119499470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).