(Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine

C10H11ClFNO2S — CID 146317844

IUPAC(Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClFNO2S/c11-8-2-1-3-10(6-8)16(14,15)7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4-
InChIKeySUXKLRCJSSOMLP-WTKPLQERSA-N
MW263.72 g/mol
LogP1.93
Rot. Bonds4

About (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine

(Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine (PubChem CID 146317844) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine
PubChem CID146317844
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name(Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClFNO2S/c11-8-2-1-3-10(6-8)16(14,15)7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4-
InChIKeySUXKLRCJSSOMLP-WTKPLQERSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
The IUPAC name of (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine (CID 146317844) is (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
The canonical SMILES for (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine is NC/C=C(\F)CS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
The InChIKey is SUXKLRCJSSOMLP-WTKPLQERSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-8-2-1-3-10(6-8)16(14,15)7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4-.
What are the key properties of (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine?
(Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine has a molecular weight of 263.72 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 146317844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).