3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide

C15H10ClFN2O5S — CID 91944057

IUPAC3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C15H10ClFN2O5S/c16-11-4-1-3-10(9-11)7-8-14(20)18-25(23,24)13-6-2-5-12(17)15(13)19(21)22/h1-9H,(H,18,20)
InChIKeyYKIUWKRAERPRIM-UHFFFAOYSA-N
MW384.77 g/mol
LogP2.91
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide

3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide (PubChem CID 91944057) has the molecular formula C15H10ClFN2O5S and a molecular weight of 384.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide
PubChem CID91944057
Molecular FormulaC15H10ClFN2O5S
Molecular Weight384.77 g/mol
Exact Mass384.00
IUPAC Name3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C15H10ClFN2O5S/c16-11-4-1-3-10(9-11)7-8-14(20)18-25(23,24)13-6-2-5-12(17)15(13)19(21)22/h1-9H,(H,18,20)
InChIKeyYKIUWKRAERPRIM-UHFFFAOYSA-N
XLogP2.91
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-bromo-5-nitrophenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 75535485
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 55362067
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115584203
3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prop-2-enamide
CID 71894493
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide (CID 91944057) is 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide is O=C(C=Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide?
The InChIKey is YKIUWKRAERPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O5S/c16-11-4-1-3-10(9-11)7-8-14(20)18-25(23,24)13-6-2-5-12(17)15(13)19(21)22/h1-9H,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide?
3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide has a molecular weight of 384.77 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 91944057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).