5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide

C14H14BrClN2O2S — CID 61072361

IUPAC5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1
InChIInChI=1S/C14H14BrClN2O2S/c1-10(11-5-3-2-4-6-11)8-18-21(19,20)13-7-12(15)9-17-14(13)16/h2-7,9-10,18H,8H2,1H3
InChIKeyAWAMFRHTCXKZNN-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.58
Rot. Bonds5

About 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide (PubChem CID 61072361) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
PubChem CID61072361
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1
InChIInChI=1S/C14H14BrClN2O2S/c1-10(11-5-3-2-4-6-11)8-18-21(19,20)13-7-12(15)9-17-14(13)16/h2-7,9-10,18H,8H2,1H3
InChIKeyAWAMFRHTCXKZNN-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
CID 61298508
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide (CID 61072361) is 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The InChIKey is AWAMFRHTCXKZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-10(11-5-3-2-4-6-11)8-18-21(19,20)13-7-12(15)9-17-14(13)16/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61072361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).