2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide

C16H13Cl2N3O2S — CID 99951065

IUPAC2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2N3O2S/c17-13-3-6-15(18)16(9-13)24(22,23)20-10-12-1-4-14(5-2-12)21-8-7-19-11-21/h1-9,11,20H,10H2
InChIKeySLBPMVYPFFJACV-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.66
Rot. Bonds5

About 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide

2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 99951065) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID99951065
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2N3O2S/c17-13-3-6-15(18)16(9-13)24(22,23)20-10-12-1-4-14(5-2-12)21-8-7-19-11-21/h1-9,11,20H,10H2
InChIKeySLBPMVYPFFJACV-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402
4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylbenzenesulfonamide
CID 95176032
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43910093
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 28636998
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide
CID 99949271
2-chloro-4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229813

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide (CID 99951065) is 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is SLBPMVYPFFJACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c17-13-3-6-15(18)16(9-13)24(22,23)20-10-12-1-4-14(5-2-12)21-8-7-19-11-21/h1-9,11,20H,10H2.
What are the key properties of 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 99951065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).