3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide

C11H14Cl2N2O2S — CID 114264574

IUPAC3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-2-3-4-7-15-18(16,17)9-6-5-8(12)11(14)10(9)13/h2,5-6,15H,1,3-4,7,14H2
InChIKeyWKGOKSRPGRRHLO-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide

3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide (PubChem CID 114264574) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
PubChem CID114264574
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-2-3-4-7-15-18(16,17)9-6-5-8(12)11(14)10(9)13/h2,5-6,15H,1,3-4,7,14H2
InChIKeyWKGOKSRPGRRHLO-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide
CID 114264577
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
3-amino-N-but-3-enyl-2,4-difluorobenzenesulfonamide
CID 107343822
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157
N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide
CID 138969223
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391987
4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]butanethioamide
CID 103088149

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide (CID 114264574) is 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide is C=CCCCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide?
The InChIKey is WKGOKSRPGRRHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-2-3-4-7-15-18(16,17)9-6-5-8(12)11(14)10(9)13/h2,5-6,15H,1,3-4,7,14H2.
What are the key properties of 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide?
3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide is sourced from PubChem (CID 114264574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).