5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide

C18H14ClN5O2S — CID 142783750

IUPAC5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)ncc1-c1cc(-c2ccc(C#N)nc2)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H14ClN5O2S/c1-10-4-17(21)24-9-15(10)12-5-14(11-2-3-13(7-20)23-8-11)18(19)16(6-12)27(22,25)26/h2-6,8-9H,1H3,(H2,21,24)(H2,22,25,26)
InChIKeySHFFXHRJBAYIKU-UHFFFAOYSA-N
MW399.86 g/mol
LogP2.87
Rot. Bonds3

About 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide

5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide (PubChem CID 142783750) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide
PubChem CID142783750
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)ncc1-c1cc(-c2ccc(C#N)nc2)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H14ClN5O2S/c1-10-4-17(21)24-9-15(10)12-5-14(11-2-3-13(7-20)23-8-11)18(19)16(6-12)27(22,25)26/h2-6,8-9H,1H3,(H2,21,24)(H2,22,25,26)
InChIKeySHFFXHRJBAYIKU-UHFFFAOYSA-N
XLogP2.87
TPSA135.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide (CID 142783750) is 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide is Cc1cc(N)ncc1-c1cc(-c2ccc(C#N)nc2)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide?
The InChIKey is SHFFXHRJBAYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-10-4-17(21)24-9-15(10)12-5-14(11-2-3-13(7-20)23-8-11)18(19)16(6-12)27(22,25)26/h2-6,8-9H,1H3,(H2,21,24)(H2,22,25,26).
What are the key properties of 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide?
5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 142783750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).