3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide

C9H9ClF2N2O2S — CID 107343820

IUPAC3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C9H9ClF2N2O2S/c1-5(10)4-14-17(15,16)7-3-2-6(11)9(13)8(7)12/h2-3,14H,1,4,13H2
InChIKeyIXHMUEXJLZIVKE-UHFFFAOYSA-N
MW282.70 g/mol
LogP1.58
Rot. Bonds4

About 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343820) has the molecular formula C9H9ClF2N2O2S and a molecular weight of 282.70 g/mol. Its IUPAC name is 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343820
Molecular FormulaC9H9ClF2N2O2S
Molecular Weight282.70 g/mol
Exact Mass282.00
IUPAC Name3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C9H9ClF2N2O2S/c1-5(10)4-14-17(15,16)7-3-2-6(11)9(13)8(7)12/h2-3,14H,1,4,13H2
InChIKeyIXHMUEXJLZIVKE-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
3-amino-N-but-3-enyl-2,4-difluorobenzenesulfonamide
CID 107343822
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940
3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107343168
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide (CID 107343820) is 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is IXHMUEXJLZIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2S/c1-5(10)4-14-17(15,16)7-3-2-6(11)9(13)8(7)12/h2-3,14H,1,4,13H2.
What are the key properties of 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 282.70 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).