N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide

C10H12N2O3S — CID 79578689

IUPACN-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)CCO)cc1
InChIInChI=1S/C10H12N2O3S/c11-7-9-1-3-10(4-2-9)8-12-16(14,15)6-5-13/h1-4,12-13H,5-6,8H2
InChIKeyBBJKMAWJWORWJF-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.03
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide

N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide (PubChem CID 79578689) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
PubChem CID79578689
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)CCO)cc1
InChIInChI=1S/C10H12N2O3S/c11-7-9-1-3-10(4-2-9)8-12-16(14,15)6-5-13/h1-4,12-13H,5-6,8H2
InChIKeyBBJKMAWJWORWJF-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55261185
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
CID 106384997
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
4-[[bromo-bis(2-hydroxyethyl)-λ4-sulfanyl]methyl]benzonitrile
CID 139752716
4-[(2-ethylsulfonylethylamino)methyl]benzonitrile
CID 54936703
2-[(4-cyanophenyl)methylamino]ethanesulfonamide
CID 43551880
5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
2-amino-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 61128052
1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43242571

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide (CID 79578689) is N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide is N#Cc1ccc(CNS(=O)(=O)CCO)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide?
The InChIKey is BBJKMAWJWORWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c11-7-9-1-3-10(4-2-9)8-12-16(14,15)6-5-13/h1-4,12-13H,5-6,8H2.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide?
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide has a molecular weight of 240.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79578689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).