N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide

C19H22N2O4S — CID 43853676

IUPACN-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-13-5-7-17(14(2)11-13)20-19(23)16-12-15(6-8-18(16)22)26(24,25)21-9-3-4-10-21/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyUGAZSFGJEBILCQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.05
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide

N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 43853676) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID43853676
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-13-5-7-17(14(2)11-13)20-19(23)16-12-15(6-8-18(16)22)26(24,25)21-9-3-4-10-21/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyUGAZSFGJEBILCQ-UHFFFAOYSA-N
XLogP3.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(2,4-dimethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968828
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
2-bromo-N-(2-fluoro-5-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26881892
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 23931463
2-hydroxy-N-(6-methyl-2-pyridinyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853684
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-chloro-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4841214

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide (CID 43853676) is N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is UGAZSFGJEBILCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-5-7-17(14(2)11-13)20-19(23)16-12-15(6-8-18(16)22)26(24,25)21-9-3-4-10-21/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43853676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).