3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C18H19N3O4S — CID 2815269

IUPAC3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-21-18(12-15(19-21)13-7-5-4-6-8-13)20-26(22,23)14-9-10-16(24-2)17(11-14)25-3/h4-12,20H,1-3H3
InChIKeyRWIUOADIIBGUNZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.91
Rot. Bonds6

About 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 2815269) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID2815269
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-21-18(12-15(19-21)13-7-5-4-6-8-13)20-26(22,23)14-9-10-16(24-2)17(11-14)25-3/h4-12,20H,1-3H3
InChIKeyRWIUOADIIBGUNZ-UHFFFAOYSA-N
XLogP2.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
3,4-dimethoxy-N-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42138790
2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 5163862
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(3-phenyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyl-1,2-oxazol-5-amine
CID 160510770
2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3673892
3,4-dimethoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780578
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
CID 22202423
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 6494027
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
CID 10727427

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 2815269) is 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is RWIUOADIIBGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-21-18(12-15(19-21)13-7-5-4-6-8-13)20-26(22,23)14-9-10-16(24-2)17(11-14)25-3/h4-12,20H,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2815269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).