3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H13N3O2S — CID 3719164

IUPAC3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C11H13N3O2S/c1-9-4-3-5-10(8-9)17(15,16)13-11-6-7-14(2)12-11/h3-8H,1-2H3,(H,12,13)
InChIKeyNIDZFZKHYUXXFJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.53
Rot. Bonds3

About 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 3719164) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID3719164
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C11H13N3O2S/c1-9-4-3-5-10(8-9)17(15,16)13-11-6-7-14(2)12-11/h3-8H,1-2H3,(H,12,13)
InChIKeyNIDZFZKHYUXXFJ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
N-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzene-1-sulfonamide
CID 5014150
4-(tert-butyl)-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808927
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 2808908
N-(2,5-dimethylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3687774
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053
N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582223
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 22201935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 3719164) is 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is NIDZFZKHYUXXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-9-4-3-5-10(8-9)17(15,16)13-11-6-7-14(2)12-11/h3-8H,1-2H3,(H,12,13).
What are the key properties of 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 3719164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).