4-cyano-N,N,2-trimethylbenzenesulfonamide

C10H12N2O2S — CID 103688766

IUPAC4-cyano-N,N,2-trimethylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H12N2O2S/c1-8-6-9(7-11)4-5-10(8)15(13,14)12(2)3/h4-6H,1-3H3
InChIKeyUPVJLGADSAGMQW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.12
Rot. Bonds2

About 4-cyano-N,N,2-trimethylbenzenesulfonamide

4-cyano-N,N,2-trimethylbenzenesulfonamide (PubChem CID 103688766) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-cyano-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N,N,2-trimethylbenzenesulfonamide
PubChem CID103688766
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-cyano-N,N,2-trimethylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H12N2O2S/c1-8-6-9(7-11)4-5-10(8)15(13,14)12(2)3/h4-6H,1-3H3
InChIKeyUPVJLGADSAGMQW-UHFFFAOYSA-N
XLogP1.12
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
CID 106997235
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 103717226
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
N-(6-bromo-2-pyridinyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 91648661
4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 106997233
4-cyano-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106997278
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N,N,2-trimethyl-4-nitrobenzenesulfonamide
CID 37477641
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 4-cyano-N,N,2-trimethylbenzenesulfonamide (CID 103688766) is 4-cyano-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N,N,2-trimethylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-cyano-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is UPVJLGADSAGMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-8-6-9(7-11)4-5-10(8)15(13,14)12(2)3/h4-6H,1-3H3.
What are the key properties of 4-cyano-N,N,2-trimethylbenzenesulfonamide?
4-cyano-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 224.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 103688766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).