4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

C18H15BrN2O2S — CID 1217817

IUPAC4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2S/c19-16-3-7-18(8-4-16)24(22,23)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2
InChIKeyKQINOEXPQWEJAM-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.24
Rot. Bonds5

About 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 1217817) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID1217817
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2S/c19-16-3-7-18(8-4-16)24(22,23)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2
InChIKeyKQINOEXPQWEJAM-UHFFFAOYSA-N
XLogP4.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
4-bromo-N-quinolin-8-ylbenzenesulfonamide
CID 1377400
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
N-[4-(4-pyridinylmethyl)phenyl]-1-butanesulfonamide
CID 2227811
Benzenesulfonamide, p-bromo-N-(3-pyridyl)-
CID 199072
4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 2411471
4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3244120
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-pyridin-4-ylethynyl]-pyridine
CID 11618305
4-Bromo-N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-YL}methyl)benzene-1-sulfonamide
CID 16028436
4-bromo-N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16806770
N-[4-(2-methyl-4-pyridinyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 72547287

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (CID 1217817) is 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is KQINOEXPQWEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-16-3-7-18(8-4-16)24(22,23)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2.
What are the key properties of 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 403.30 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).