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

C11H13N3O2S — CID 162420970

IUPACN-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C11H13N3O2S/c1-12-17(15,16)10-5-3-4-9(8-10)11-6-7-13-14(11)2/h3-8,12H,1-2H3
InChIKeyTYZHJIQKVXDDPJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.00
Rot. Bonds3

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

N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 162420970) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID162420970
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C11H13N3O2S/c1-12-17(15,16)10-5-3-4-9(8-10)11-6-7-13-14(11)2/h3-8,12H,1-2H3
InChIKeyTYZHJIQKVXDDPJ-UHFFFAOYSA-N
XLogP1.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 162420970) is N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2ccnn2C)c1.
What is the InChIKey of N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is TYZHJIQKVXDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-12-17(15,16)10-5-3-4-9(8-10)11-6-7-13-14(11)2/h3-8,12H,1-2H3.
What are the key properties of N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide?
N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162420970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).