2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide

C13H7Cl3N2O2S — CID 80696701

IUPAC2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H7Cl3N2O2S/c14-9-2-4-10(15)12(6-9)18-21(19,20)13-5-8(7-17)1-3-11(13)16/h1-6,18H
InChIKeyULAQWQIVMZIZMX-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.32
Rot. Bonds3

About 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide

2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide (PubChem CID 80696701) has the molecular formula C13H7Cl3N2O2S and a molecular weight of 361.64 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
PubChem CID80696701
Molecular FormulaC13H7Cl3N2O2S
Molecular Weight361.64 g/mol
Exact Mass359.93
IUPAC Name2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H7Cl3N2O2S/c14-9-2-4-10(15)12(6-9)18-21(19,20)13-5-8(7-17)1-3-11(13)16/h1-6,18H
InChIKeyULAQWQIVMZIZMX-UHFFFAOYSA-N
XLogP4.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide (CID 80696701) is 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is ULAQWQIVMZIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O2S/c14-9-2-4-10(15)12(6-9)18-21(19,20)13-5-8(7-17)1-3-11(13)16/h1-6,18H.
What are the key properties of 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide?
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide has a molecular weight of 361.64 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 80696701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).