4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C10H10Cl2N4O2S — CID 43534674

IUPAC4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)cn1
InChIInChI=1S/C10H10Cl2N4O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(11)2-6(13)3-9(10)12/h2-5,15H,13H2,1H3
InChIKeyOJTASGPGBVZFIZ-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.11
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 43534674) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID43534674
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC Name4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)cn1
InChIInChI=1S/C10H10Cl2N4O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(11)2-6(13)3-9(10)12/h2-5,15H,13H2,1H3
InChIKeyOJTASGPGBVZFIZ-UHFFFAOYSA-N
XLogP2.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.11
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

4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 115329714
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 107328677
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 47309988
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
3-amino-4-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 81470973
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
5-chloro-2-methyl-3-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 82813853

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 43534674) is 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)cn1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is OJTASGPGBVZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(11)2-6(13)3-9(10)12/h2-5,15H,13H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 321.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43534674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).