N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide

C14H11ClN2O3S — CID 28895851

IUPACN-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O3S/c15-12-5-6-14(18)13(7-12)17-21(19,20)9-11-4-2-1-3-10(11)8-16/h1-7,17-18H,9H2
InChIKeyBUVDTQGLJHPSQC-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.86
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide

N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 28895851) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
PubChem CID28895851
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O3S/c15-12-5-6-14(18)13(7-12)17-21(19,20)9-11-4-2-1-3-10(11)8-16/h1-7,17-18H,9H2
InChIKeyBUVDTQGLJHPSQC-UHFFFAOYSA-N
XLogP2.86
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 29031167
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
CID 45330184
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
2-[(4-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 94804869
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide (CID 28895851) is N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is BUVDTQGLJHPSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-12-5-6-14(18)13(7-12)17-21(19,20)9-11-4-2-1-3-10(11)8-16/h1-7,17-18H,9H2.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 28895851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).