N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide

C12H16N2O2S — CID 43273076

IUPACN-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H16N2O2S/c1-4-10(2)14(3)17(15,16)12-8-6-5-7-11(12)9-13/h5-8,10H,4H2,1-3H3
InChIKeyAICJAUSGHSYRNB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.98
Rot. Bonds4

About N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide

N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide (PubChem CID 43273076) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
PubChem CID43273076
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H16N2O2S/c1-4-10(2)14(3)17(15,16)12-8-6-5-7-11(12)9-13/h5-8,10H,4H2,1-3H3
InChIKeyAICJAUSGHSYRNB-UHFFFAOYSA-N
XLogP1.98
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60845298
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
2-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 63228327
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
ethyl 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 54943099
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide (CID 43273076) is N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide?
The InChIKey is AICJAUSGHSYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-4-10(2)14(3)17(15,16)12-8-6-5-7-11(12)9-13/h5-8,10H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide?
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 43273076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).