N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride

C16H23ClF3N3O3S — CID 119428190

IUPACN-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
SMILESCl.O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCNC1
InChIInChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)12-4-1-6-14(10-12)26(24,25)21-9-3-7-15(23)22-13-5-2-8-20-11-13;/h1,4,6,10,13,20-21H,2-3,5,7-9,11H2,(H,22,23);1H
InChIKeyNFYMQQSMIWHJJQ-UHFFFAOYSA-N
MW429.89 g/mol
LogP2.05
Rot. Bonds7

About N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride

N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride (PubChem CID 119428190) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
PubChem CID119428190
Molecular FormulaC16H23ClF3N3O3S
Molecular Weight429.89 g/mol
Exact Mass429.11
IUPAC NameN-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
SMILESCl.O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCNC1
InChIInChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)12-4-1-6-14(10-12)26(24,25)21-9-3-7-15(23)22-13-5-2-8-20-11-13;/h1,4,6,10,13,20-21H,2-3,5,7-9,11H2,(H,22,23);1H
InChIKeyNFYMQQSMIWHJJQ-UHFFFAOYSA-N
XLogP2.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 52.05
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-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
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-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
N-(1-amino-2-methylpropan-2-yl)-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119524320
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
CID 158422763
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119425175

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride (CID 119428190) is N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride is Cl.O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
The InChIKey is NFYMQQSMIWHJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S.ClH/c17-16(18,19)12-4-1-6-14(10-12)26(24,25)21-9-3-7-15(23)22-13-5-2-8-20-11-13;/h1,4,6,10,13,20-21H,2-3,5,7-9,11H2,(H,22,23);1H.
What are the key properties of N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride?
N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride has a molecular weight of 429.89 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride is sourced from PubChem (CID 119428190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).