4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide

C16H14ClF3N4O4S — CID 27661736

IUPAC4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccccn1
InChIInChI=1S/C16H14ClF3N4O4S/c17-12-5-4-10(9-11(12)16(18,19)20)29(27,28)22-8-6-14(25)23-24-15(26)13-3-1-2-7-21-13/h1-5,7,9,22H,6,8H2,(H,23,25)(H,24,26)
InChIKeyYTDUCSCREPPPML-UHFFFAOYSA-N
MW450.83 g/mol
LogP1.88
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 27661736) has the molecular formula C16H14ClF3N4O4S and a molecular weight of 450.83 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID27661736
Molecular FormulaC16H14ClF3N4O4S
Molecular Weight450.83 g/mol
Exact Mass450.04
IUPAC Name4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccccn1
InChIInChI=1S/C16H14ClF3N4O4S/c17-12-5-4-10(9-11(12)16(18,19)20)29(27,28)22-8-6-14(25)23-24-15(26)13-3-1-2-7-21-13/h1-5,7,9,22H,6,8H2,(H,23,25)(H,24,26)
InChIKeyYTDUCSCREPPPML-UHFFFAOYSA-N
XLogP1.88
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.83
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
CID 4843823
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
CID 55457674
N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24638031
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 112842777
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(N-methylanilino)ethyl]propanamide
CID 55447360
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
CID 55637530
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 27661736) is 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccccn1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YTDUCSCREPPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O4S/c17-12-5-4-10(9-11(12)16(18,19)20)29(27,28)22-8-6-14(25)23-24-15(26)13-3-1-2-7-21-13/h1-5,7,9,22H,6,8H2,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 450.83 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 27661736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).