N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide

C15H14N2O3S — CID 97464244

IUPACN-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccnc2)cc1
InChIInChI=1S/C15H14N2O3S/c1-21(19,20)17-14-7-5-13(6-8-14)15(18)9-4-12-3-2-10-16-11-12/h2-11,17H,1H3/b9-4-
InChIKeyFXMFXADAZUBLJT-WTKPLQERSA-N
MW302.36 g/mol
LogP2.35
Rot. Bonds5

About N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide

N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide (PubChem CID 97464244) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide
PubChem CID97464244
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccnc2)cc1
InChIInChI=1S/C15H14N2O3S/c1-21(19,20)17-14-7-5-13(6-8-14)15(18)9-4-12-3-2-10-16-11-12/h2-11,17H,1H3/b9-4-
InChIKeyFXMFXADAZUBLJT-WTKPLQERSA-N
XLogP2.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(E)-1-(4-tert-butylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 40700825
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
(E)-1-(4-methylsulfanylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 18982147
methyl 2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate
CID 51097580
(E)-1-[4-(difluoromethoxy)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 19542807
N-[4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]methanesulfonamide
CID 76878493
N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
CID 622324
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
N-[4-[3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 76878528
N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22787783
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide (CID 97464244) is N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccnc2)cc1.
What is the InChIKey of N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide?
The InChIKey is FXMFXADAZUBLJT-WTKPLQERSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-21(19,20)17-14-7-5-13(6-8-14)15(18)9-4-12-3-2-10-16-11-12/h2-11,17H,1H3/b9-4-.
What are the key properties of N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide?
N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 97464244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).