N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C18H15N3O3S — CID 46345289

IUPACN-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C#N)c3)c2)o1
InChIInChI=1S/C18H15N3O3S/c1-12-6-7-15(17-11-20-13(2)24-17)9-18(12)25(22,23)21-16-5-3-4-14(8-16)10-19/h3-9,11,21H,1-2H3
InChIKeyNPQCOELKJBXNEP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.63
Rot. Bonds4

About N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 46345289) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID46345289
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C#N)c3)c2)o1
InChIInChI=1S/C18H15N3O3S/c1-12-6-7-15(17-11-20-13(2)24-17)9-18(12)25(22,23)21-16-5-3-4-14(8-16)10-19/h3-9,11,21H,1-2H3
InChIKeyNPQCOELKJBXNEP-UHFFFAOYSA-N
XLogP3.63
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
N-(3-chloro-2-methylphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958925
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 20958983
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958930
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
CID 80711667
3-[(5-cyano-2-methylphenyl)sulfonylamino]benzoic acid
CID 167981446
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
N-[3-[(3-cyanophenyl)sulfamoyl]-4-methoxyphenyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 156859975
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 46345289) is N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C#N)c3)c2)o1.
What is the InChIKey of N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is NPQCOELKJBXNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-6-7-15(17-11-20-13(2)24-17)9-18(12)25(22,23)21-16-5-3-4-14(8-16)10-19/h3-9,11,21H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 46345289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).