3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

C11H12Cl2N4O2S — CID 102803406

IUPAC3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-6-8(5-17(2)15-6)16-20(18,19)9-4-3-7(12)11(14)10(9)13/h3-5,16H,14H2,1-2H3
InChIKeyLIGZBTWCGQLXAE-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 102803406) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID102803406
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H12Cl2N4O2S/c1-6-8(5-17(2)15-6)16-20(18,19)9-4-3-7(12)11(14)10(9)13/h3-5,16H,14H2,1-2H3
InChIKeyLIGZBTWCGQLXAE-UHFFFAOYSA-N
XLogP2.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
3-amino-4-bromo-5-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 103077773
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478
3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911751

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (CID 102803406) is 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1ccc(Cl)c(N)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is LIGZBTWCGQLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-6-8(5-17(2)15-6)16-20(18,19)9-4-3-7(12)11(14)10(9)13/h3-5,16H,14H2,1-2H3.
What are the key properties of 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 102803406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).