N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide

C15H21N3O4S — CID 56725241

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCC(C)n1nccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O4S/c1-5-11(2)18-15(8-9-16-18)17-23(19,20)12-6-7-13(21-3)14(10-12)22-4/h6-11,17H,5H2,1-4H3
InChIKeyWMASRXRNEPCYDT-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.67
Rot. Bonds7

About N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide

N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 56725241) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID56725241
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCC(C)n1nccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O4S/c1-5-11(2)18-15(8-9-16-18)17-23(19,20)12-6-7-13(21-3)14(10-12)22-4/h6-11,17H,5H2,1-4H3
InChIKeyWMASRXRNEPCYDT-UHFFFAOYSA-N
XLogP2.67
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-4-fluoro-3-methoxybenzenesulfonamide
CID 99832215
3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
CID 20649447
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 2812403
3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344439
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide (CID 56725241) is N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide is CCC(C)n1nccc1NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is WMASRXRNEPCYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-5-11(2)18-15(8-9-16-18)17-23(19,20)12-6-7-13(21-3)14(10-12)22-4/h6-11,17H,5H2,1-4H3.
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide?
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 56725241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).