(Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine

C10H10Cl2FNO2S — CID 146317720

IUPAC(Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FNO2S/c11-7-3-8(12)5-10(4-7)17(15,16)6-9(13)1-2-14/h1,3-5H,2,6,14H2/b9-1-
InChIKeyHAQANZMXSDQBCH-OQYWKCLKSA-N
MW298.17 g/mol
LogP2.58
Rot. Bonds4

About (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine

(Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine (PubChem CID 146317720) has the molecular formula C10H10Cl2FNO2S and a molecular weight of 298.17 g/mol. Its IUPAC name is (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine
PubChem CID146317720
Molecular FormulaC10H10Cl2FNO2S
Molecular Weight298.17 g/mol
Exact Mass296.98
IUPAC Name(Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FNO2S/c11-7-3-8(12)5-10(4-7)17(15,16)6-9(13)1-2-14/h1,3-5H,2,6,14H2/b9-1-
InChIKeyHAQANZMXSDQBCH-OQYWKCLKSA-N
XLogP2.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
The IUPAC name of (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine (CID 146317720) is (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
The canonical SMILES for (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine is NC/C=C(\F)CS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
The InChIKey is HAQANZMXSDQBCH-OQYWKCLKSA-N. The full InChI is InChI=1S/C10H10Cl2FNO2S/c11-7-3-8(12)5-10(4-7)17(15,16)6-9(13)1-2-14/h1,3-5H,2,6,14H2/b9-1-.
What are the key properties of (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
(Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine has a molecular weight of 298.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3,5-dichlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 146317720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).