4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide

C11H15ClN2O2S — CID 114264577

IUPAC4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h2,5-6,8,14H,1,3-4,7,13H2
InChIKeyBFTKTZIWRRIGFL-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide

4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide (PubChem CID 114264577) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide
PubChem CID114264577
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h2,5-6,8,14H,1,3-4,7,13H2
InChIKeyBFTKTZIWRRIGFL-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.17
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

3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
CID 114264574
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide (CID 114264577) is 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide is C=CCCCNS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide?
The InChIKey is BFTKTZIWRRIGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h2,5-6,8,14H,1,3-4,7,13H2.
What are the key properties of 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide?
4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide is sourced from PubChem (CID 114264577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).