N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide

C14H19N3O4S — CID 118538401

IUPACN-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(-c2cc(=O)n(C)[nH]2)cc1
InChIInChI=1S/C14H19N3O4S/c1-16(8-9-21-3)22(19,20)12-6-4-11(5-7-12)13-10-14(18)17(2)15-13/h4-7,10,15H,8-9H2,1-3H3
InChIKeyLYINRWSKAJOJKC-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.65
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide

N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 118538401) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID118538401
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(-c2cc(=O)n(C)[nH]2)cc1
InChIInChI=1S/C14H19N3O4S/c1-16(8-9-21-3)22(19,20)12-6-4-11(5-7-12)13-10-14(18)17(2)15-13/h4-7,10,15H,8-9H2,1-3H3
InChIKeyLYINRWSKAJOJKC-UHFFFAOYSA-N
XLogP0.65
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-2-methyl-1H-pyrazol-3-one
CID 118538474
4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide
CID 11058138
4-[(5-methyl-3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
CID 87142698
4-[3-oxo-2-(2-sulfoethyl)-1H-pyrazol-5-yl]benzenesulfonic acid
CID 87216104
disodium;4-[3-oxo-2-(2-sulfonatoethyl)-1H-pyrazol-5-yl]benzenesulfonate
CID 87216105
3-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonic acid
CID 87216107
N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
CID 91356924
4-(4-formyl-2-methyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118537918
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118537941
2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118538131
N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
CID 118538324
4-(5-Hydroxy-4-methyl-1H-pyrazol-3-yl)-N,N-dimethylbenzene-1-sulfonamide
CID 118538456

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide (CID 118538401) is N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(-c2cc(=O)n(C)[nH]2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is LYINRWSKAJOJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-16(8-9-21-3)22(19,20)12-6-4-11(5-7-12)13-10-14(18)17(2)15-13/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118538401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).