2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide

C23H23BrN2O3S — CID 157053334

IUPAC2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1)CCc1cccnc1
InChIInChI=1S/C23H23BrN2O3S/c24-22-5-1-2-6-23(22)30(28,29)26-17-20-9-7-18(8-10-20)11-13-21(27)14-12-19-4-3-15-25-16-19/h1-10,15-16,26H,11-14,17H2
InChIKeyGOFAZTWTPYQCDV-UHFFFAOYSA-N
MW487.42 g/mol
LogP4.46
Rot. Bonds10

About 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide

2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide (PubChem CID 157053334) has the molecular formula C23H23BrN2O3S and a molecular weight of 487.42 g/mol. Its IUPAC name is 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide
PubChem CID157053334
Molecular FormulaC23H23BrN2O3S
Molecular Weight487.42 g/mol
Exact Mass486.06
IUPAC Name2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1)CCc1cccnc1
InChIInChI=1S/C23H23BrN2O3S/c24-22-5-1-2-6-23(22)30(28,29)26-17-20-9-7-18(8-10-20)11-13-21(27)14-12-19-4-3-15-25-16-19/h1-10,15-16,26H,11-14,17H2
InChIKeyGOFAZTWTPYQCDV-UHFFFAOYSA-N
XLogP4.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide (CID 157053334) is 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide is O=C(CCc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1)CCc1cccnc1.
What is the InChIKey of 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is GOFAZTWTPYQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3S/c24-22-5-1-2-6-23(22)30(28,29)26-17-20-9-7-18(8-10-20)11-13-21(27)14-12-19-4-3-15-25-16-19/h1-10,15-16,26H,11-14,17H2.
What are the key properties of 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide?
2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 487.42 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 157053334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).