3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

C11H13N3O4S — CID 61394362

IUPAC3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1OC
InChIInChI=1S/C11H13N3O4S/c1-17-9-4-3-8(7-10(9)18-2)19(15,16)14-11-5-6-12-13-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeySYRMOVXPXKYGGN-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.23
Rot. Bonds5

About 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61394362) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61394362
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1OC
InChIInChI=1S/C11H13N3O4S/c1-17-9-4-3-8(7-10(9)18-2)19(15,16)14-11-5-6-12-13-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeySYRMOVXPXKYGGN-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-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 18772364
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61394362) is 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is SYRMOVXPXKYGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-17-9-4-3-8(7-10(9)18-2)19(15,16)14-11-5-6-12-13-11/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of 3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1H-pyrazol-5-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-5-yl)benzenesulfonamide is sourced from PubChem (CID 61394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).