3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide

C12H12N2O3S — CID 75399111

IUPAC3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC(=O)C2CC2)c1
InChIInChI=1S/C12H12N2O3S/c13-7-9-2-1-3-11(6-9)18(16,17)14-8-12(15)10-4-5-10/h1-3,6,10,14H,4-5,8H2
InChIKeyKNUGAXHQTWPEFB-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.82
Rot. Bonds5

About 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide

3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide (PubChem CID 75399111) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
PubChem CID75399111
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC(=O)C2CC2)c1
InChIInChI=1S/C12H12N2O3S/c13-7-9-2-1-3-11(6-9)18(16,17)14-8-12(15)10-4-5-10/h1-3,6,10,14H,4-5,8H2
InChIKeyKNUGAXHQTWPEFB-UHFFFAOYSA-N
XLogP0.82
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114749959
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide (CID 75399111) is 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCC(=O)C2CC2)c1.
What is the InChIKey of 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is KNUGAXHQTWPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-7-9-2-1-3-11(6-9)18(16,17)14-8-12(15)10-4-5-10/h1-3,6,10,14H,4-5,8H2.
What are the key properties of 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide?
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 75399111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).