N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

C20H18N4O2S — CID 113037114

IUPACN-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C20H18N4O2S/c1-14-7-8-15(2)19(11-14)27(25,26)24-20-10-9-17(13-22-20)23-18-6-4-3-5-16(18)12-21/h3-11,13,23H,1-2H3,(H,22,24)
InChIKeyNUXABWNOBKSAEM-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.11
Rot. Bonds5

About N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113037114) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113037114
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C20H18N4O2S/c1-14-7-8-15(2)19(11-14)27(25,26)24-20-10-9-17(13-22-20)23-18-6-4-3-5-16(18)12-21/h3-11,13,23H,1-2H3,(H,22,24)
InChIKeyNUXABWNOBKSAEM-UHFFFAOYSA-N
XLogP4.11
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989897
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113037114) is N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3ccccc3C#N)cn2)c1.
What is the InChIKey of N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is NUXABWNOBKSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-7-8-15(2)19(11-14)27(25,26)24-20-10-9-17(13-22-20)23-18-6-4-3-5-16(18)12-21/h3-11,13,23H,1-2H3,(H,22,24).
What are the key properties of N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113037114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).