N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide

C20H23Cl2N3O3S — CID 6734872

IUPACN-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(Cc3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14(26)23-15-6-8-17(9-7-15)29(27,28)24(2)16-10-11-25(12-16)13-18-19(21)4-3-5-20(18)22/h3-9,16H,10-13H2,1-2H3,(H,23,26)
InChIKeyDFUCGRQYXSLQAF-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide

N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide (PubChem CID 6734872) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide
PubChem CID6734872
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC NameN-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(Cc3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14(26)23-15-6-8-17(9-7-15)29(27,28)24(2)16-10-11-25(12-16)13-18-19(21)4-3-5-20(18)22/h3-9,16H,10-13H2,1-2H3,(H,23,26)
InChIKeyDFUCGRQYXSLQAF-UHFFFAOYSA-N
XLogP3.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096715
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 100778503
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 7687450
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide (CID 6734872) is N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(Cc3c(Cl)cccc3Cl)C2)cc1.
What is the InChIKey of N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide?
The InChIKey is DFUCGRQYXSLQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-14(26)23-15-6-8-17(9-7-15)29(27,28)24(2)16-10-11-25(12-16)13-18-19(21)4-3-5-20(18)22/h3-9,16H,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide?
N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide has a molecular weight of 456.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6734872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).