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

C23H21N3O2S — CID 86902692

IUPACN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide
SMILESCc1nccn1Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2S/c1-18-24-15-16-26(18)17-19-11-13-21(14-12-19)25-29(27,28)23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-16,25H,17H2,1H3
InChIKeyCVEZMRUNZXCEFG-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.71
Rot. Bonds6

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

N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide (PubChem CID 86902692) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide
PubChem CID86902692
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide
SMILESCc1nccn1Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2S/c1-18-24-15-16-26(18)17-19-11-13-21(14-12-19)25-29(27,28)23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-16,25H,17H2,1H3
InChIKeyCVEZMRUNZXCEFG-UHFFFAOYSA-N
XLogP4.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-methylimidazole
CID 158634472
N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide
CID 160887319
imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium
CID 123878774
1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
CID 88907437
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
1-amino-3-(3-methyl-4-pyridinyl)-2-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]guanidine
CID 123385633
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
1-[(3,5-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71140307

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide (CID 86902692) is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide is Cc1nccn1Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide?
The InChIKey is CVEZMRUNZXCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-18-24-15-16-26(18)17-19-11-13-21(14-12-19)25-29(27,28)23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-16,25H,17H2,1H3.
What are the key properties of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide?
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 86902692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).