2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide

C13H8Cl2N2O3S — CID 81422590

IUPAC2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1
InChIInChI=1S/C13H8Cl2N2O3S/c14-9-2-4-11(12(18)6-9)17-21(19,20)13-5-8(7-16)1-3-10(13)15/h1-6,17-18H
InChIKeyVUTMVKXEGMJBLE-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide

2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide (PubChem CID 81422590) has the molecular formula C13H8Cl2N2O3S and a molecular weight of 343.19 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
PubChem CID81422590
Molecular FormulaC13H8Cl2N2O3S
Molecular Weight343.19 g/mol
Exact Mass341.96
IUPAC Name2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1
InChIInChI=1S/C13H8Cl2N2O3S/c14-9-2-4-11(12(18)6-9)17-21(19,20)13-5-8(7-16)1-3-10(13)15/h1-6,17-18H
InChIKeyVUTMVKXEGMJBLE-UHFFFAOYSA-N
XLogP3.37
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.37
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

2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide (CID 81422590) is 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide?
The InChIKey is VUTMVKXEGMJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3S/c14-9-2-4-11(12(18)6-9)17-21(19,20)13-5-8(7-16)1-3-10(13)15/h1-6,17-18H.
What are the key properties of 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide?
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide has a molecular weight of 343.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide is sourced from PubChem (CID 81422590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).