N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide

C10H9F2NO3S — CID 43616637

IUPACN-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H9F2NO3S/c1-2-9(14)13-7-3-5-8(6-4-7)17(15,16)10(11)12/h2-6,10H,1H2,(H,13,14)
InChIKeyNZPOLIIRCXJPRD-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.81
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide

N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide (PubChem CID 43616637) has the molecular formula C10H9F2NO3S and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
PubChem CID43616637
Molecular FormulaC10H9F2NO3S
Molecular Weight261.25 g/mol
Exact Mass261.03
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H9F2NO3S/c1-2-9(14)13-7-3-5-8(6-4-7)17(15,16)10(11)12/h2-6,10H,1H2,(H,13,14)
InChIKeyNZPOLIIRCXJPRD-UHFFFAOYSA-N
XLogP1.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
N-[4-(4-propan-2-ylphenyl)sulfonylphenyl]prop-2-enamide
CID 138531780
(E)-N-[4-(difluoromethylsulfonyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7942006
3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 47093671
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 102248492
2-amino-N-[4-(difluoromethylsulfonyl)phenyl]-3,3-dimethylbutanamide
CID 76887895
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 8503434
2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
CID 60708142

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide (CID 43616637) is N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
The InChIKey is NZPOLIIRCXJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3S/c1-2-9(14)13-7-3-5-8(6-4-7)17(15,16)10(11)12/h2-6,10H,1H2,(H,13,14).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide has a molecular weight of 261.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 43616637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).