1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide

C13H18N2O2S — CID 43265953

IUPAC1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2O2S/c1-4-15(11(2)3)18(16,17)10-13-7-5-12(9-14)6-8-13/h5-8,11H,4,10H2,1-3H3
InChIKeyQJEHUOWDJFNFJS-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide

1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide (PubChem CID 43265953) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
PubChem CID43265953
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2O2S/c1-4-15(11(2)3)18(16,17)10-13-7-5-12(9-14)6-8-13/h5-8,11H,4,10H2,1-3H3
InChIKeyQJEHUOWDJFNFJS-UHFFFAOYSA-N
XLogP2.12
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
CID 43272243
1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
CID 55225990
4-(1-sulfanylethylsulfonylmethyl)benzonitrile
CID 167244875
N-(azetidin-3-yl)-1-(4-cyanophenyl)-N-ethylmethanesulfonamide
CID 66183203
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N,N-dimethylacetamide
CID 43216444
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310
4-(hexan-3-ylsulfonylmethyl)benzonitrile
CID 122145488
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
4-[(4-ethyl-4-methylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 63161345
4-[(2-amino-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 81188216
4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115965238

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide (CID 43265953) is 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide is CCN(C(C)C)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is QJEHUOWDJFNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-15(11(2)3)18(16,17)10-13-7-5-12(9-14)6-8-13/h5-8,11H,4,10H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide?
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 43265953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).