4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

C16H13Cl2N3O3S — CID 10294269

IUPAC4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-24-14-7-2-10(8-13(14)17)15-16(18)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyYJVDVVFPGPAHQX-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.50
Rot. Bonds4

About 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10294269) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10294269
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC Name4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-24-14-7-2-10(8-13(14)17)15-16(18)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyYJVDVVFPGPAHQX-UHFFFAOYSA-N
XLogP3.50
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-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

4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 10177830
sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride
CID 173089780
dipotassium;4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]-N-phosphonatobenzenesulfonamide
CID 10347160
trisodium;[4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonyl-phosphonatoazanide
CID 10098430
tripotassium;[4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonyl-phosphonatoazanide
CID 10460774
1-[[5-(3-chloro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-1-hydroxyurea
CID 87973466
4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608718
4-[2-(4-chloro-3-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10502827
sodium 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate
CID 23702360
[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate
CID 11015325
4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole
CID 22600064
4-[6-butoxy-2-(3-chloro-4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 70274014

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (CID 10294269) is 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide is COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is YJVDVVFPGPAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-24-14-7-2-10(8-13(14)17)15-16(18)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23).
What are the key properties of 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 398.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10294269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).