N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide

C14H11ClN2O3S — CID 64788737

IUPACN-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2ccc(O)cc2Cl)cc1
InChIInChI=1S/C14H11ClN2O3S/c15-13-7-12(18)5-6-14(13)17-21(19,20)9-11-3-1-10(8-16)2-4-11/h1-7,17-18H,9H2
InChIKeyQGCNHORZNZSBAI-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.86
Rot. Bonds4

About N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide

N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 64788737) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID64788737
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2ccc(O)cc2Cl)cc1
InChIInChI=1S/C14H11ClN2O3S/c15-13-7-12(18)5-6-14(13)17-21(19,20)9-11-3-1-10(8-16)2-4-11/h1-7,17-18H,9H2
InChIKeyQGCNHORZNZSBAI-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': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 64786790
1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 107809713
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103580529
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide (CID 64788737) is N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)Nc2ccc(O)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is QGCNHORZNZSBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-13-7-12(18)5-6-14(13)17-21(19,20)9-11-3-1-10(8-16)2-4-11/h1-7,17-18H,9H2.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide?
N-(2-chloro-4-hydroxyphenyl)-1-(4-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-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 64788737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).