2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide

C14H16N2O3S — CID 103864178

IUPAC2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1CCOC1C1CC1
InChIInChI=1S/C14H16N2O3S/c15-9-11-3-1-2-4-13(11)20(17,18)16-12-7-8-19-14(12)10-5-6-10/h1-4,10,12,14,16H,5-8H2
InChIKeySFBOVNNIEWXTAE-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.40
Rot. Bonds4

About 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide

2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide (PubChem CID 103864178) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
PubChem CID103864178
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1CCOC1C1CC1
InChIInChI=1S/C14H16N2O3S/c15-9-11-3-1-2-4-13(11)20(17,18)16-12-7-8-19-14(12)10-5-6-10/h1-4,10,12,14,16H,5-8H2
InChIKeySFBOVNNIEWXTAE-UHFFFAOYSA-N
XLogP1.40
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
CID 103864215
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 3592960
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517
2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
CID 91779438
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
[(3R,3aR,6R,6aR)-3-[(2-cyanophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
CID 162809675

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide (CID 103864178) is 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NC1CCOC1C1CC1.
What is the InChIKey of 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
The InChIKey is SFBOVNNIEWXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-9-11-3-1-2-4-13(11)20(17,18)16-12-7-8-19-14(12)10-5-6-10/h1-4,10,12,14,16H,5-8H2.
What are the key properties of 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide?
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103864178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).