N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide

C12H15N3O4S — CID 102691685

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C12H15N3O4S/c1-18-10-4-3-9(7-11(10)19-2)8-14-20(16,17)12-5-6-13-15-12/h3-7,14H,8H2,1-2H3,(H,13,15)
InChIKeyBMIGSRXSQCLVQL-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.91
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691685) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691685
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C12H15N3O4S/c1-18-10-4-3-9(7-11(10)19-2)8-14-20(16,17)12-5-6-13-15-12/h3-7,14H,8H2,1-2H3,(H,13,15)
InChIKeyBMIGSRXSQCLVQL-UHFFFAOYSA-N
XLogP0.91
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692415
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692392
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102691685) is N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is BMIGSRXSQCLVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-18-10-4-3-9(7-11(10)19-2)8-14-20(16,17)12-5-6-13-15-12/h3-7,14H,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).