N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide

C19H15BrN4O2S — CID 71625309

IUPACN-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3Br)c(C#N)c(N)n2)c1
InChIInChI=1S/C19H15BrN4O2S/c1-27(25,26)24-13-6-4-5-12(9-13)18-10-15(16(11-21)19(22)23-18)14-7-2-3-8-17(14)20/h2-10,24H,1H3,(H2,22,23)
InChIKeyDKBPPTSUAUGVIU-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.00
Rot. Bonds4

About N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide

N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide (PubChem CID 71625309) has the molecular formula C19H15BrN4O2S and a molecular weight of 443.33 g/mol. Its IUPAC name is N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide
PubChem CID71625309
Molecular FormulaC19H15BrN4O2S
Molecular Weight443.33 g/mol
Exact Mass442.01
IUPAC NameN-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3Br)c(C#N)c(N)n2)c1
InChIInChI=1S/C19H15BrN4O2S/c1-27(25,26)24-13-6-4-5-12(9-13)18-10-15(16(11-21)19(22)23-18)14-7-2-3-8-17(14)20/h2-10,24H,1H3,(H2,22,23)
InChIKeyDKBPPTSUAUGVIU-UHFFFAOYSA-N
XLogP4.00
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide (CID 71625309) is N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3Br)c(C#N)c(N)n2)c1.
What is the InChIKey of N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is DKBPPTSUAUGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2S/c1-27(25,26)24-13-6-4-5-12(9-13)18-10-15(16(11-21)19(22)23-18)14-7-2-3-8-17(14)20/h2-10,24H,1H3,(H2,22,23).
What are the key properties of N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide?
N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 443.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71625309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).