N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C21H22N4O3S — CID 92682729

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-16-22-12-14-24(16)20-6-3-2-5-17(20)15-23-29(27,28)19-10-8-18(9-11-19)25-13-4-7-21(25)26/h2-3,5-6,8-12,14,23H,4,7,13,15H2,1H3
InChIKeyAFXHABMTBLTSQJ-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.79
Rot. Bonds6

About N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 92682729) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID92682729
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-16-22-12-14-24(16)20-6-3-2-5-17(20)15-23-29(27,28)19-10-8-18(9-11-19)25-13-4-7-21(25)26/h2-3,5-6,8-12,14,23H,4,7,13,15H2,1H3
InChIKeyAFXHABMTBLTSQJ-UHFFFAOYSA-N
XLogP2.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 92679891
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100637696
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47080525
4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 46771117
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
N-(1H-imidazol-2-ylmethyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110725759
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110401176

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 92682729) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is AFXHABMTBLTSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-16-22-12-14-24(16)20-6-3-2-5-17(20)15-23-29(27,28)19-10-8-18(9-11-19)25-13-4-7-21(25)26/h2-3,5-6,8-12,14,23H,4,7,13,15H2,1H3.
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 92682729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).