N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide

C12H14N2O3S — CID 63247332

IUPACN-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)CC2CCCO2)c1
InChIInChI=1S/C12H14N2O3S/c13-8-10-3-1-4-11(7-10)14-18(15,16)9-12-5-2-6-17-12/h1,3-4,7,12,14H,2,5-6,9H2
InChIKeyLNOUVWLHXPDAHV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.48
Rot. Bonds4

About N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247332) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247332
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)CC2CCCO2)c1
InChIInChI=1S/C12H14N2O3S/c13-8-10-3-1-4-11(7-10)14-18(15,16)9-12-5-2-6-17-12/h1,3-4,7,12,14H,2,5-6,9H2
InChIKeyLNOUVWLHXPDAHV-UHFFFAOYSA-N
XLogP1.48
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63247332) is N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide is N#Cc1cccc(NS(=O)(=O)CC2CCCO2)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is LNOUVWLHXPDAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-8-10-3-1-4-11(7-10)14-18(15,16)9-12-5-2-6-17-12/h1,3-4,7,12,14H,2,5-6,9H2.
What are the key properties of N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).