3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide

C13H16N2O3S — CID 114749959

IUPAC3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C13H16N2O3S/c14-9-11-2-1-3-12(8-11)19(17,18)15-10-13(4-5-13)6-7-16/h1-3,8,15-16H,4-7,10H2
InChIKeyRPMCPZRGDOSXHS-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.00
Rot. Bonds6

About 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide

3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 114749959) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID114749959
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C13H16N2O3S/c14-9-11-2-1-3-12(8-11)19(17,18)15-10-13(4-5-13)6-7-16/h1-3,8,15-16H,4-7,10H2
InChIKeyRPMCPZRGDOSXHS-UHFFFAOYSA-N
XLogP1.00
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
CID 43598192
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 114749922
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-amino-4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755713
3-cyano-N-pentylbenzenesulfonamide
CID 3575653

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide (CID 114749959) is 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCC2(CCO)CC2)c1.
What is the InChIKey of 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is RPMCPZRGDOSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-9-11-2-1-3-12(8-11)19(17,18)15-10-13(4-5-13)6-7-16/h1-3,8,15-16H,4-7,10H2.
What are the key properties of 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide?
3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 114749959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).