4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide

C14H18N2O3S — CID 103717226

IUPAC4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H18N2O3S/c1-11-9-12(10-15)3-4-14(11)20(17,18)16(2)13-5-7-19-8-6-13/h3-4,9,13H,5-8H2,1-2H3
InChIKeyPMIPEMGGNSGZQN-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds3

About 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide

4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 103717226) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID103717226
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H18N2O3S/c1-11-9-12(10-15)3-4-14(11)20(17,18)16(2)13-5-7-19-8-6-13/h3-4,9,13H,5-8H2,1-2H3
InChIKeyPMIPEMGGNSGZQN-UHFFFAOYSA-N
XLogP1.67
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
2-amino-4-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741463
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
N-(4-aminocyclohexyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 79113445
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
4-amino-2-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740986
5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
2-chloro-5-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 80697087
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
CID 106997235
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide (CID 103717226) is 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is PMIPEMGGNSGZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-9-12(10-15)3-4-14(11)20(17,18)16(2)13-5-7-19-8-6-13/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide?
4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 103717226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).