N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide

C20H18N4O2S — CID 113037323

IUPACN-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C20H18N4O2S/c1-2-15-5-10-19(11-6-15)27(25,26)24-20-12-9-18(14-22-20)23-17-7-3-16(13-21)4-8-17/h3-12,14,23H,2H2,1H3,(H,22,24)
InChIKeyRNPXJTRZURREES-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.06
Rot. Bonds6

About N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide

N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide (PubChem CID 113037323) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
PubChem CID113037323
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C20H18N4O2S/c1-2-15-5-10-19(11-6-15)27(25,26)24-20-12-9-18(14-22-20)23-17-7-3-16(13-21)4-8-17/h3-12,14,23H,2H2,1H3,(H,22,24)
InChIKeyRNPXJTRZURREES-UHFFFAOYSA-N
XLogP4.06
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113037335
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide (CID 113037323) is N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)cn2)cc1.
What is the InChIKey of N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide?
The InChIKey is RNPXJTRZURREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-15-5-10-19(11-6-15)27(25,26)24-20-12-9-18(14-22-20)23-17-7-3-16(13-21)4-8-17/h3-12,14,23H,2H2,1H3,(H,22,24).
What are the key properties of N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide?
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113037323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).