N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide

C14H9Cl2N5O2S2 — CID 31914119

IUPACN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESN#Cc1cnn(-c2ccccc2NS(=O)(=O)c2cc(Cl)sc2Cl)c1N
InChIInChI=1S/C14H9Cl2N5O2S2/c15-12-5-11(13(16)24-12)25(22,23)20-9-3-1-2-4-10(9)21-14(18)8(6-17)7-19-21/h1-5,7,20H,18H2
InChIKeyZJNYPKAMKYOPEJ-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide

N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 31914119) has the molecular formula C14H9Cl2N5O2S2 and a molecular weight of 414.30 g/mol. Its IUPAC name is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID31914119
Molecular FormulaC14H9Cl2N5O2S2
Molecular Weight414.30 g/mol
Exact Mass412.96
IUPAC NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESN#Cc1cnn(-c2ccccc2NS(=O)(=O)c2cc(Cl)sc2Cl)c1N
InChIInChI=1S/C14H9Cl2N5O2S2/c15-12-5-11(13(16)24-12)25(22,23)20-9-3-1-2-4-10(9)21-14(18)8(6-17)7-19-21/h1-5,7,20H,18H2
InChIKeyZJNYPKAMKYOPEJ-UHFFFAOYSA-N
XLogP3.50
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide (CID 31914119) is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide is N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2cc(Cl)sc2Cl)c1N.
What is the InChIKey of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is ZJNYPKAMKYOPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O2S2/c15-12-5-11(13(16)24-12)25(22,23)20-9-3-1-2-4-10(9)21-14(18)8(6-17)7-19-21/h1-5,7,20H,18H2.
What are the key properties of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 414.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 31914119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).