N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H15N5O3S — CID 113022734

IUPACN-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C17H15N5O3S/c1-11-17(12(2)25-21-11)26(23,24)22-14-7-8-16(19-10-14)20-15-6-4-3-5-13(15)9-18/h3-8,10,22H,1-2H3,(H,19,20)
InChIKeyNBTYHBMXKQBWBS-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.10
Rot. Bonds5

About N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113022734) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113022734
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C17H15N5O3S/c1-11-17(12(2)25-21-11)26(23,24)22-14-7-8-16(19-10-14)20-15-6-4-3-5-13(15)9-18/h3-8,10,22H,1-2H3,(H,19,20)
InChIKeyNBTYHBMXKQBWBS-UHFFFAOYSA-N
XLogP3.10
TPSA120.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189
N-[5-(3-cyanoanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113037237
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022728
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113032084
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113022734) is N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2C#N)nc1.
What is the InChIKey of N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NBTYHBMXKQBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-11-17(12(2)25-21-11)26(23,24)22-14-7-8-16(19-10-14)20-15-6-4-3-5-13(15)9-18/h3-8,10,22H,1-2H3,(H,19,20).
What are the key properties of N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 369.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113022734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).