4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C17H17N3O3S — CID 46427546

IUPAC4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-23-15-7-9-16(10-8-15)24(21,22)19-17-6-3-2-5-14(17)13-20-12-4-11-18-20/h2-12,19H,13H2,1H3
InChIKeyHTLBTCBGOQSMME-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.74
Rot. Bonds6

About 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 46427546) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID46427546
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-23-15-7-9-16(10-8-15)24(21,22)19-17-6-3-2-5-14(17)13-20-12-4-11-18-20/h2-12,19H,13H2,1H3
InChIKeyHTLBTCBGOQSMME-UHFFFAOYSA-N
XLogP2.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55645265
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744
5-oxo-1-[4-[[2-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]phenyl]pyrrolidine-3-carboxylic acid
CID 55676614
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide
CID 47063258
ethyl 3-bromo-4-[[2-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 39844390
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 46427546) is 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is HTLBTCBGOQSMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-15-7-9-16(10-8-15)24(21,22)19-17-6-3-2-5-14(17)13-20-12-4-11-18-20/h2-12,19H,13H2,1H3.
What are the key properties of 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46427546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).