5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide

C15H17BrN2O2S — CID 63422557

IUPAC5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-3-4-12-5-7-14(8-6-12)18-21(19,20)15-9-13(16)10-17-11-15/h5-11,18H,2-4H2,1H3
InChIKeySDBJJYUSFGZXDD-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.99
Rot. Bonds6

About 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide

5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide (PubChem CID 63422557) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide
PubChem CID63422557
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-3-4-12-5-7-14(8-6-12)18-21(19,20)15-9-13(16)10-17-11-15/h5-11,18H,2-4H2,1H3
InChIKeySDBJJYUSFGZXDD-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
CID 3568453
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-sulfonamide
CID 114296376
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
5-bromo-2-[(4-butylphenyl)sulfamoyl]benzoic acid
CID 75479260
5-butyl-N-methylpyridine-3-sulfonamide
CID 173100963
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide (CID 63422557) is 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide is CCCCc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide?
The InChIKey is SDBJJYUSFGZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-3-4-12-5-7-14(8-6-12)18-21(19,20)15-9-13(16)10-17-11-15/h5-11,18H,2-4H2,1H3.
What are the key properties of 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide?
5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63422557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).