3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C11H12ClN3O2S — CID 2808894

IUPAC3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C11H12ClN3O2S/c1-8-9(12)4-3-5-10(8)18(16,17)14-11-6-7-13-15(11)2/h3-7,14H,1-2H3
InChIKeyUWHPAFCGWXKAPB-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.18
Rot. Bonds3

About 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808894) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808894
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C11H12ClN3O2S/c1-8-9(12)4-3-5-10(8)18(16,17)14-11-6-7-13-15(11)2/h3-7,14H,1-2H3
InChIKeyUWHPAFCGWXKAPB-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808894) is 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccnn1C.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is UWHPAFCGWXKAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-8-9(12)4-3-5-10(8)18(16,17)14-11-6-7-13-15(11)2/h3-7,14H,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).