(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide

C16H14FN3O5S — CID 9164920

IUPAC(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14FN3O5S/c1-11-2-8-14(10-15(11)20(22)23)26(24,25)19-18-16(21)9-5-12-3-6-13(17)7-4-12/h2-10,19H,1H3,(H,18,21)/b9-5+
InChIKeyQQYFLBGEOROASN-WEVVVXLNSA-N
MW379.37 g/mol
LogP2.07
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide

(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide (PubChem CID 9164920) has the molecular formula C16H14FN3O5S and a molecular weight of 379.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
PubChem CID9164920
Molecular FormulaC16H14FN3O5S
Molecular Weight379.37 g/mol
Exact Mass379.06
IUPAC Name(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14FN3O5S/c1-11-2-8-14(10-15(11)20(22)23)26(24,25)19-18-16(21)9-5-12-3-6-13(17)7-4-12/h2-10,19H,1H3,(H,18,21)/b9-5+
InChIKeyQQYFLBGEOROASN-WEVVVXLNSA-N
XLogP2.07
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
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)-3-(3-fluoro-4-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9208056
(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164878
(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164918
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
CID 110454037
2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164866
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
N-(4-methyl-3-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5146580
(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986777
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75363379

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide (CID 9164920) is (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide is Cc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The InChIKey is QQYFLBGEOROASN-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H14FN3O5S/c1-11-2-8-14(10-15(11)20(22)23)26(24,25)19-18-16(21)9-5-12-3-6-13(17)7-4-12/h2-10,19H,1H3,(H,18,21)/b9-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide has a molecular weight of 379.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide is sourced from PubChem (CID 9164920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).