N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H21N3O5S2 — CID 46762833

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C18H21N3O5S2/c1-20(27(2,23)24)16-6-3-5-14(13-16)19-28(25,26)17-10-8-15(9-11-17)21-12-4-7-18(21)22/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3
InChIKeyASSDCUKDAUSNCQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.01
Rot. Bonds6

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 46762833) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID46762833
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C18H21N3O5S2/c1-20(27(2,23)24)16-6-3-5-14(13-16)19-28(25,26)17-10-8-15(9-11-17)21-12-4-7-18(21)22/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3
InChIKeyASSDCUKDAUSNCQ-UHFFFAOYSA-N
XLogP2.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 1306752
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954228
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 24663051
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 46762833) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CN(c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is ASSDCUKDAUSNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-20(27(2,23)24)16-6-3-5-14(13-16)19-28(25,26)17-10-8-15(9-11-17)21-12-4-7-18(21)22/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3.
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 423.52 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 46762833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).