3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C18H19N3O4S — CID 22205258

IUPAC3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-24-17-9-8-16(12-18(17)25-2)26(22,23)20-15-6-4-14(5-7-15)13-21-11-3-10-19-21/h3-12,20H,13H2,1-2H3
InChIKeyMVOGSRLHAXWTGE-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.75
Rot. Bonds7

About 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 22205258) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID22205258
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-24-17-9-8-16(12-18(17)25-2)26(22,23)20-15-6-4-14(5-7-15)13-21-11-3-10-19-21/h3-12,20H,13H2,1-2H3
InChIKeyMVOGSRLHAXWTGE-UHFFFAOYSA-N
XLogP2.75
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 39331258
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22202053
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 6494027
2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 171134294
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 22205258) is 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is MVOGSRLHAXWTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-17-9-8-16(12-18(17)25-2)26(22,23)20-15-6-4-14(5-7-15)13-21-11-3-10-19-21/h3-12,20H,13H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22205258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).