4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide

C12H14N2O2S — CID 106833025

IUPAC4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CC2)ccc1C#N
InChIInChI=1S/C12H14N2O2S/c1-9-7-12(6-3-10(9)8-13)17(15,16)14(2)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyTYCNDBLOPOWNFG-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.65
Rot. Bonds3

About 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide

4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide (PubChem CID 106833025) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
PubChem CID106833025
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CC2)ccc1C#N
InChIInChI=1S/C12H14N2O2S/c1-9-7-12(6-3-10(9)8-13)17(15,16)14(2)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyTYCNDBLOPOWNFG-UHFFFAOYSA-N
XLogP1.65
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbenzenesulfonamide
CID 106832945
4-(3-aminoprop-1-ynyl)-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 54926777
N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 106833564
4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119966060
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106833094
N-(azepan-4-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 107173032
N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 113370449
4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106833012
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide (CID 106833025) is 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C2CC2)ccc1C#N.
What is the InChIKey of 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
The InChIKey is TYCNDBLOPOWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-7-12(6-3-10(9)8-13)17(15,16)14(2)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide?
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106833025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).