N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride

C15H23ClF3N3O3S — CID 119433256

IUPACN-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H22F3N3O3S.ClH/c1-19-8-4-9-20-14(22)7-3-10-21-25(23,24)13-6-2-5-12(11-13)15(16,17)18;/h2,5-6,11,19,21H,3-4,7-10H2,1H3,(H,20,22);1H
InChIKeyBATCAZLZKACDJM-UHFFFAOYSA-N
MW417.88 g/mol
LogP1.91
Rot. Bonds10

About N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride

N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride (PubChem CID 119433256) has the molecular formula C15H23ClF3N3O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
PubChem CID119433256
Molecular FormulaC15H23ClF3N3O3S
Molecular Weight417.88 g/mol
Exact Mass417.11
IUPAC NameN-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H22F3N3O3S.ClH/c1-19-8-4-9-20-14(22)7-3-10-21-25(23,24)13-6-2-5-12(11-13)15(16,17)18;/h2,5-6,11,19,21H,3-4,7-10H2,1H3,(H,20,22);1H
InChIKeyBATCAZLZKACDJM-UHFFFAOYSA-N
XLogP1.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 51.91
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

N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoylamino]acetic acid
CID 119350481
N-(1-amino-2-methylpropan-2-yl)-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119524320
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride (CID 119433256) is N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride is CNCCCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
The InChIKey is BATCAZLZKACDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S.ClH/c1-19-8-4-9-20-14(22)7-3-10-21-25(23,24)13-6-2-5-12(11-13)15(16,17)18;/h2,5-6,11,19,21H,3-4,7-10H2,1H3,(H,20,22);1H.
What are the key properties of N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride has a molecular weight of 417.88 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride is sourced from PubChem (CID 119433256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).