5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide

C14H18N2O3S — CID 115756395

IUPAC5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC1(C)CCOCC1
InChIInChI=1S/C14H18N2O3S/c1-11-3-4-12(10-15)9-13(11)20(17,18)16-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyFZNWNYIKYABKOQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds3

About 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide

5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide (PubChem CID 115756395) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
PubChem CID115756395
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC1(C)CCOCC1
InChIInChI=1S/C14H18N2O3S/c1-11-3-4-12(10-15)9-13(11)20(17,18)16-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyFZNWNYIKYABKOQ-UHFFFAOYSA-N
XLogP1.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743788
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 75500304
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485512
4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 106833516
5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 103990150
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 103743706
5-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107848116
N-(1-chloropropan-2-yl)-5-cyano-2-methylbenzenesulfonamide
CID 106442039
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-4-methylbenzonitrile
CID 107271362

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide (CID 115756395) is 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)NC1(C)CCOCC1.
What is the InChIKey of 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
The InChIKey is FZNWNYIKYABKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-3-4-12(10-15)9-13(11)20(17,18)16-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 115756395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).