N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

C19H21ClN2O4S — CID 2665878

IUPACN-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H21ClN2O4S/c1-13-5-7-15(12-16(13)20)21-19(23)14-6-8-17(26-2)18(11-14)27(24,25)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyRNQSLGOSOAGLRS-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.69
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2665878) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2665878
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H21ClN2O4S/c1-13-5-7-15(12-16(13)20)21-19(23)14-6-8-17(26-2)18(11-14)27(24,25)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyRNQSLGOSOAGLRS-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2083342
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(3,4-dimethylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966830
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
dimethyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 45373598

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2665878) is N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RNQSLGOSOAGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-13-5-7-15(12-16(13)20)21-19(23)14-6-8-17(26-2)18(11-14)27(24,25)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2665878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).