N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide

C15H15BrN2O2S — CID 134845333

IUPACN-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide
SMILESC=CCCN(c1cccnc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2S/c1-2-3-12-18(14-10-7-11-17-15(14)16)21(19,20)13-8-5-4-6-9-13/h2,4-11H,1,3,12H2
InChIKeyVQBMQZPNDFRLCU-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.62
Rot. Bonds6

About N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide

N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide (PubChem CID 134845333) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide
PubChem CID134845333
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide
SMILESC=CCCN(c1cccnc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2S/c1-2-3-12-18(14-10-7-11-17-15(14)16)21(19,20)13-8-5-4-6-9-13/h2,4-11H,1,3,12H2
InChIKeyVQBMQZPNDFRLCU-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-fluoro-3-pyridinyl)-N-but-3-enyl-4-methylbenzenesulfonamide
CID 135388513
N-dodecyl-N-quinolin-8-ylbenzenesulfonamide
CID 54559164
N-(2-bromophenyl)-N-(2-bromo-3-pyridinyl)methanesulfonamide
CID 10597444
N-prop-2-enylbenzenesulfonohydrazide
CID 67638701
2-[benzenesulfonyl(2-carboxyethyl)amino]benzoic acid
CID 50894689
3-[N-(benzenesulfonyl)-2-methylanilino]propanoic acid
CID 50889530
N-pyrimidin-2-ylbenzenesulfonohydrazide
CID 67916952
3-(N-(4-bromophenyl)sulfonyl-2-chloroanilino)propanoic acid
CID 50889772
3-[(4-bromophenyl)sulfonyl-naphthalen-1-ylamino]propanoic acid
CID 50893880
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
N-(3-bromo-1-benzothiophen-2-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 66907283
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide (CID 134845333) is N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide is C=CCCN(c1cccnc1Br)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide?
The InChIKey is VQBMQZPNDFRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-2-3-12-18(14-10-7-11-17-15(14)16)21(19,20)13-8-5-4-6-9-13/h2,4-11H,1,3,12H2.
What are the key properties of N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide?
N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide has a molecular weight of 367.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide is sourced from PubChem (CID 134845333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).