N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide

C15H19N3O4S — CID 166121417

IUPACN-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)CC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O4S/c1-12-3-5-14(6-4-12)23(21,22)18(7-8-19)11-15(20)13-9-16-17(2)10-13/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyZQIJKMREQGLYEK-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.59
Rot. Bonds7

About N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide

N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 166121417) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID166121417
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)CC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O4S/c1-12-3-5-14(6-4-12)23(21,22)18(7-8-19)11-15(20)13-9-16-17(2)10-13/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyZQIJKMREQGLYEK-UHFFFAOYSA-N
XLogP0.59
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
N-(2-hydroxyethyl)-4-methyl-N-[(2-methyloxiran-2-yl)methyl]benzenesulfonamide
CID 135262751
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 115754586
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 11813935
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
3-[[2-(4-methylphenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]propanoic acid
CID 25102509
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 51961196

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide (CID 166121417) is N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)CC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is ZQIJKMREQGLYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-12-3-5-14(6-4-12)23(21,22)18(7-8-19)11-15(20)13-9-16-17(2)10-13/h3-6,9-10,19H,7-8,11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 166121417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).