4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide

C16H10Cl2N4O2S — CID 10644259

IUPAC4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
SMILESN#Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H10Cl2N4O2S/c17-11-3-1-10(2-4-11)16-15(18)14(9-19)21-22(16)12-5-7-13(8-6-12)25(20,23)24/h1-8H,(H2,20,23,24)
InChIKeyRWFQVGQYGYLUOT-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.37
Rot. Bonds3

About 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide

4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide (PubChem CID 10644259) has the molecular formula C16H10Cl2N4O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
PubChem CID10644259
Molecular FormulaC16H10Cl2N4O2S
Molecular Weight393.26 g/mol
Exact Mass391.99
IUPAC Name4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
SMILESN#Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H10Cl2N4O2S/c17-11-3-1-10(2-4-11)16-15(18)14(9-19)21-22(16)12-5-7-13(8-6-12)25(20,23)24/h1-8H,(H2,20,23,24)
InChIKeyRWFQVGQYGYLUOT-UHFFFAOYSA-N
XLogP3.37
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide (CID 10644259) is 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide is N#Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
The InChIKey is RWFQVGQYGYLUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2S/c17-11-3-1-10(2-4-11)16-15(18)14(9-19)21-22(16)12-5-7-13(8-6-12)25(20,23)24/h1-8H,(H2,20,23,24).
What are the key properties of 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide has a molecular weight of 393.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-(4-chlorophenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10644259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).