4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide

C14H18N2O3S — CID 106833516

IUPAC4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C)CCOCC2)ccc1C#N
InChIInChI=1S/C14H18N2O3S/c1-11-9-13(4-3-12(11)10-15)20(17,18)16-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyOCTFPBGTRRPLLD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds3

About 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide

4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide (PubChem CID 106833516) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
PubChem CID106833516
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C)CCOCC2)ccc1C#N
InChIInChI=1S/C14H18N2O3S/c1-11-9-13(4-3-12(11)10-15)20(17,18)16-14(2)5-7-19-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyOCTFPBGTRRPLLD-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

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Related Compounds

5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756395
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667
4-cyano-N-[(1-hydroxycyclobutyl)methyl]-3-methylbenzenesulfonamide
CID 106833347
N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138044685
4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 106833466
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide (CID 106833516) is 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2(C)CCOCC2)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
The InChIKey is OCTFPBGTRRPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-9-13(4-3-12(11)10-15)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 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide?
4-cyano-3-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 4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 106833516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).