4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide

C19H14BrN3O3S — CID 70273429

IUPAC4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1nc(-c2ccc(Br)cc2)c(-c2ccc(S(N)(=O)=O)cc2)cc1C#N
InChIInChI=1S/C19H14BrN3O3S/c1-26-19-14(11-21)10-17(12-4-8-16(9-5-12)27(22,24)25)18(23-19)13-2-6-15(20)7-3-13/h2-10H,1H3,(H2,22,24,25)
InChIKeyQFIWGRJNIZTJGL-UHFFFAOYSA-N
MW444.31 g/mol
LogP3.71
Rot. Bonds4

About 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide

4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 70273429) has the molecular formula C19H14BrN3O3S and a molecular weight of 444.31 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID70273429
Molecular FormulaC19H14BrN3O3S
Molecular Weight444.31 g/mol
Exact Mass442.99
IUPAC Name4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1nc(-c2ccc(Br)cc2)c(-c2ccc(S(N)(=O)=O)cc2)cc1C#N
InChIInChI=1S/C19H14BrN3O3S/c1-26-19-14(11-21)10-17(12-4-8-16(9-5-12)27(22,24)25)18(23-19)13-2-6-15(20)7-3-13/h2-10H,1H3,(H2,22,24,25)
InChIKeyQFIWGRJNIZTJGL-UHFFFAOYSA-N
XLogP3.71
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;6-(4-fluorophenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 143049750
6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 70271927
6-(4-bromophenyl)-2-butoxy-5-(4-ethylsulfonylphenyl)pyridine-3-carbonitrile
CID 67688654
4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide
CID 70273806
2-bromo-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 10296372
6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pent-2-en-3-yloxypyridine-3-carbonitrile
CID 70273625
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
4-bromobenzenesulfonamide;ethane
CID 143929211
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 22315541
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
CID 174424491

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide (CID 70273429) is 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide is COc1nc(-c2ccc(Br)cc2)c(-c2ccc(S(N)(=O)=O)cc2)cc1C#N.
What is the InChIKey of 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is QFIWGRJNIZTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O3S/c1-26-19-14(11-21)10-17(12-4-8-16(9-5-12)27(22,24)25)18(23-19)13-2-6-15(20)7-3-13/h2-10H,1H3,(H2,22,24,25).
What are the key properties of 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide?
4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 444.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70273429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).