N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide

C18H19F2N3O4S — CID 56502755

IUPACN-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H19F2N3O4S/c1-11(27-14-6-9-16(19)17(20)10-14)18(24)22-21-12-4-7-15(8-5-12)28(25,26)23-13-2-3-13/h4-11,13,21,23H,2-3H2,1H3,(H,22,24)
InChIKeyWRTCQZYCYDNKAA-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.32
Rot. Bonds8

About N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide (PubChem CID 56502755) has the molecular formula C18H19F2N3O4S and a molecular weight of 411.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
PubChem CID56502755
Molecular FormulaC18H19F2N3O4S
Molecular Weight411.43 g/mol
Exact Mass411.11
IUPAC NameN-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H19F2N3O4S/c1-11(27-14-6-9-16(19)17(20)10-14)18(24)22-21-12-4-7-15(8-5-12)28(25,26)23-13-2-3-13/h4-11,13,21,23H,2-3H2,1H3,(H,22,24)
InChIKeyWRTCQZYCYDNKAA-UHFFFAOYSA-N
XLogP2.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.32
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

(2R)-2-[4-(cyclohexylsulfamoyl)phenoxy]-N-methylpropanamide
CID 92513134
4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 56504410
4-[2-(3,4-difluorophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229245
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 2973953
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
CID 56566087
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 55850395
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide (CID 56502755) is N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide is CC(Oc1ccc(F)c(F)c1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide?
The InChIKey is WRTCQZYCYDNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4S/c1-11(27-14-6-9-16(19)17(20)10-14)18(24)22-21-12-4-7-15(8-5-12)28(25,26)23-13-2-3-13/h4-11,13,21,23H,2-3H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide has a molecular weight of 411.43 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56502755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).