N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride

C12H19ClFN3O3S — CID 119404849

IUPACN-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3O3S.ClH/c13-10-2-4-11(5-3-10)20(18,19)16-9-6-12(17)15-8-1-7-14;/h2-5,16H,1,6-9,14H2,(H,15,17);1H
InChIKeyTYUJDBYZHSMTSJ-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.38
Rot. Bonds8

About N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride

N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119404849) has the molecular formula C12H19ClFN3O3S and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119404849
Molecular FormulaC12H19ClFN3O3S
Molecular Weight339.82 g/mol
Exact Mass339.08
IUPAC NameN-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3O3S.ClH/c13-10-2-4-11(5-3-10)20(18,19)16-9-6-12(17)15-8-1-7-14;/h2-5,16H,1,6-9,14H2,(H,15,17);1H
InChIKeyTYUJDBYZHSMTSJ-UHFFFAOYSA-N
XLogP0.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119568695
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119564864
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride (CID 119404849) is N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride is Cl.NCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is TYUJDBYZHSMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S.ClH/c13-10-2-4-11(5-3-10)20(18,19)16-9-6-12(17)15-8-1-7-14;/h2-5,16H,1,6-9,14H2,(H,15,17);1H.
What are the key properties of N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119404849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).