N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C21H26ClN3O4S — CID 2578242

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C21H26ClN3O4S/c1-14-11-18(20(29-4)13-17(14)22)23-21(26)16-12-15(30(27,28)24(2)3)7-8-19(16)25-9-5-6-10-25/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,26)
InChIKeyNVXCKJRPPQCMGQ-UHFFFAOYSA-N
MW451.98 g/mol
LogP3.76
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 2578242) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID2578242
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C21H26ClN3O4S/c1-14-11-18(20(29-4)13-17(14)22)23-21(26)16-12-15(30(27,28)24(2)3)7-8-19(16)25-9-5-6-10-25/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,26)
InChIKeyNVXCKJRPPQCMGQ-UHFFFAOYSA-N
XLogP3.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
N-(2-methoxy-5-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 2208349
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2359990
N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 2446191
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
CID 2540194
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2548470
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849
N-(2,5-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24979674
1-(4-Chlorobenzenesulfonyl)-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014656
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 24816843
2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24817908
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076323

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 2578242) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is NVXCKJRPPQCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-14-11-18(20(29-4)13-17(14)22)23-21(26)16-12-15(30(27,28)24(2)3)7-8-19(16)25-9-5-6-10-25/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 451.98 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 2578242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).