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

C17H17N3O2S — CID 46764245

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-14-18-11-12-20(14)17-10-6-5-7-15(17)13-19-23(21,22)16-8-3-2-4-9-16/h2-12,19H,13H2,1H3
InChIKeyZMLTVULQGKKRSM-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.66
Rot. Bonds5

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

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 46764245) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID46764245
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-14-18-11-12-20(14)17-10-6-5-7-15(17)13-19-23(21,22)16-8-3-2-4-9-16/h2-12,19H,13H2,1H3
InChIKeyZMLTVULQGKKRSM-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92682729
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47080525
2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
CID 92678172
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 46771117
(3S)-1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 100659789
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43877067
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 30305069
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305918

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 46764245) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZMLTVULQGKKRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-14-18-11-12-20(14)17-10-6-5-7-15(17)13-19-23(21,22)16-8-3-2-4-9-16/h2-12,19H,13H2,1H3.
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 46764245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).