N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

C20H25N3O6S2 — CID 55985107

IUPACN-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H25N3O6S2/c1-22(2)30(25,26)18-9-5-4-8-16(18)21-20(24)15-10-11-17(29-3)19(14-15)31(27,28)23-12-6-7-13-23/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H,21,24)
InChIKeyPIBSGMQEBMMSNH-UHFFFAOYSA-N
MW467.57 g/mol
LogP1.98
Rot. Bonds7

About N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55985107) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55985107
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC NameN-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H25N3O6S2/c1-22(2)30(25,26)18-9-5-4-8-16(18)21-20(24)15-10-11-17(29-3)19(14-15)31(27,28)23-12-6-7-13-23/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H,21,24)
InChIKeyPIBSGMQEBMMSNH-UHFFFAOYSA-N
XLogP1.98
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(2-phenylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26727465
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38749018
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
3-(dimethylsulfamoyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18166162
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55985107) is N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PIBSGMQEBMMSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c1-22(2)30(25,26)18-9-5-4-8-16(18)21-20(24)15-10-11-17(29-3)19(14-15)31(27,28)23-12-6-7-13-23/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 467.57 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).