2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

C11H12Cl2N4O2S — CID 104617270

IUPAC2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-2-6-5-15-16-11(6)17-20(18,19)10-8(13)3-7(12)4-9(10)14/h3-5H,2,14H2,1H3,(H2,15,16,17)
InChIKeyYCQQTSWQBQGZST-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.66
Rot. Bonds4

About 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104617270) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104617270
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-2-6-5-15-16-11(6)17-20(18,19)10-8(13)3-7(12)4-9(10)14/h3-5H,2,14H2,1H3,(H2,15,16,17)
InChIKeyYCQQTSWQBQGZST-UHFFFAOYSA-N
XLogP2.66
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104617270) is 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is YCQQTSWQBQGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-2-6-5-15-16-11(6)17-20(18,19)10-8(13)3-7(12)4-9(10)14/h3-5H,2,14H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104617270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).