4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C13H7Cl3N2O2S — CID 26979603

IUPAC4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl3N2O2S/c14-10-5-12(16)13(6-11(10)15)18-21(19,20)9-3-1-8(7-17)2-4-9/h1-6,18H
InChIKeyXYIICVNNQFKLKC-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.32
Rot. Bonds3

About 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide

4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 26979603) has the molecular formula C13H7Cl3N2O2S and a molecular weight of 361.64 g/mol. Its IUPAC name is 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID26979603
Molecular FormulaC13H7Cl3N2O2S
Molecular Weight361.64 g/mol
Exact Mass359.93
IUPAC Name4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl3N2O2S/c14-10-5-12(16)13(6-11(10)15)18-21(19,20)9-3-1-8(7-17)2-4-9/h1-6,18H
InChIKeyXYIICVNNQFKLKC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 26979603) is 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is XYIICVNNQFKLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O2S/c14-10-5-12(16)13(6-11(10)15)18-21(19,20)9-3-1-8(7-17)2-4-9/h1-6,18H.
What are the key properties of 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
4-cyano-N-(2,4,5-trichlorophenyl)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 4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 26979603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).