3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide

C11H13N3O4S — CID 43532732

IUPAC3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1OC
InChIInChI=1S/C11H13N3O4S/c1-17-10-4-3-9(5-11(10)18-2)19(15,16)14-8-6-12-13-7-8/h3-7,14H,1-2H3,(H,12,13)
InChIKeyQFQHKKUAAJOPLW-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.23
Rot. Bonds5

About 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide

3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43532732) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43532732
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1OC
InChIInChI=1S/C11H13N3O4S/c1-17-10-4-3-9(5-11(10)18-2)19(15,16)14-8-6-12-13-7-8/h3-7,14H,1-2H3,(H,12,13)
InChIKeyQFQHKKUAAJOPLW-UHFFFAOYSA-N
XLogP1.23
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43532732) is 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is QFQHKKUAAJOPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-17-10-4-3-9(5-11(10)18-2)19(15,16)14-8-6-12-13-7-8/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43532732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).