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

C10H12Cl2FNO2S — CID 146317717

IUPAC(Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride
SMILESCl.NC/C=C(\F)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO2S.ClH/c11-8-1-3-10(4-2-8)16(14,15)7-9(12)5-6-13;/h1-5H,6-7,13H2;1H/b9-5-;
InChIKeyXGOXGJCEWCIGEA-UYTGOYFPSA-N
MW300.18 g/mol
LogP2.35
Rot. Bonds4

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

(Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride (PubChem CID 146317717) has the molecular formula C10H12Cl2FNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride
PubChem CID146317717
Molecular FormulaC10H12Cl2FNO2S
Molecular Weight300.18 g/mol
Exact Mass298.99
IUPAC Name(Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride
SMILESCl.NC/C=C(\F)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO2S.ClH/c11-8-1-3-10(4-2-8)16(14,15)7-9(12)5-6-13;/h1-5H,6-7,13H2;1H/b9-5-;
InChIKeyXGOXGJCEWCIGEA-UYTGOYFPSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-fluoro-4-[4-(methylideneamino)phenyl]sulfonylbut-2-en-1-amine
CID 153398864
4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 146317789
calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine
CID 146317802
3-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-di(propan-2-yl)benzenesulfonamide
CID 175112483
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
4-[2-(4-amino-2-fluorobut-2-enyl)sulfonylphenoxy]-N,N-dimethylbenzenesulfonamide
CID 146317776
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
(E)-4-(2-chloro-4-methylsulfonylphenoxy)-3-fluorobut-2-en-1-amine
CID 42623112
(E)-4-(4-chlorophenyl)sulfonyl-2-methylbut-2-enal
CID 18635980
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride (CID 146317717) is (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride is Cl.NC/C=C(\F)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride?
The InChIKey is XGOXGJCEWCIGEA-UYTGOYFPSA-N. The full InChI is InChI=1S/C10H11ClFNO2S.ClH/c11-8-1-3-10(4-2-8)16(14,15)7-9(12)5-6-13;/h1-5H,6-7,13H2;1H/b9-5-;.
What are the key properties of (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride?
(Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride has a molecular weight of 300.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)sulfonyl-3-fluorobut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 146317717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).