N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide

C18H14N4O2S — CID 23725123

IUPACN-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1
InChIInChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
InChIKeyZESFDAKNYJQYKO-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.00
Rot. Bonds4

About N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide

N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide (PubChem CID 23725123) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide
PubChem CID23725123
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1
InChIInChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
InChIKeyZESFDAKNYJQYKO-UHFFFAOYSA-N
XLogP3.00
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 815224
CID 815224
CID 755284
CID 755284
CID 4982676
CID 4982676
CID 12002968
CID 12002968
CID 44143308
CID 44143308
CID 44143310
CID 44143310
CID 44143311
CID 44143311
CID 44143312
CID 44143312
CID 44143313
CID 44143313
CID 44143314
CID 44143314
CID 71579776
CID 71579776
CID 44143315
CID 44143315

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide (CID 23725123) is N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
The InChIKey is ZESFDAKNYJQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22).
What are the key properties of N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 23725123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).