2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C10H12N2O3S — CID 91137073

IUPAC2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#CCc1ccccc1S(=O)(=O)NCCO
InChIInChI=1S/C10H12N2O3S/c11-6-5-9-3-1-2-4-10(9)16(14,15)12-7-8-13/h1-4,12-13H,5,7-8H2
InChIKeyCPXAOWRWRNUZGA-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.02
Rot. Bonds5

About 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide

2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 91137073) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID91137073
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#CCc1ccccc1S(=O)(=O)NCCO
InChIInChI=1S/C10H12N2O3S/c11-6-5-9-3-1-2-4-10(9)16(14,15)12-7-8-13/h1-4,12-13H,5,7-8H2
InChIKeyCPXAOWRWRNUZGA-UHFFFAOYSA-N
XLogP0.02
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 91137073) is 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide is N#CCc1ccccc1S(=O)(=O)NCCO.
What is the InChIKey of 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CPXAOWRWRNUZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c11-6-5-9-3-1-2-4-10(9)16(14,15)12-7-8-13/h1-4,12-13H,5,7-8H2.
What are the key properties of 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 91137073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).