4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C12H14ClN3O2S — CID 2808908

IUPAC4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccnn2C)c(C)cc1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3
InChIKeyZWMLTZRACFJOBJ-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.49
Rot. Bonds3

About 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808908) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808908
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccnn2C)c(C)cc1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3
InChIKeyZWMLTZRACFJOBJ-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808908) is 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccnn2C)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is ZWMLTZRACFJOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).