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

C17H15Cl2N3O3S — CID 10179876

IUPAC4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H15Cl2N3O3S/c1-2-25-15-8-3-11(9-14(15)18)16-17(19)21-10-22(16)12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)
InChIKeyOLEQDDGYTJTQBS-UHFFFAOYSA-N
MW412.30 g/mol
LogP3.89
Rot. Bonds5

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

4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10179876) has the molecular formula C17H15Cl2N3O3S and a molecular weight of 412.30 g/mol. Its IUPAC name is 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10179876
Molecular FormulaC17H15Cl2N3O3S
Molecular Weight412.30 g/mol
Exact Mass411.02
IUPAC Name4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H15Cl2N3O3S/c1-2-25-15-8-3-11(9-14(15)18)16-17(19)21-10-22(16)12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)
InChIKeyOLEQDDGYTJTQBS-UHFFFAOYSA-N
XLogP3.89
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide (CID 10179876) is 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide is CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is OLEQDDGYTJTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3S/c1-2-25-15-8-3-11(9-14(15)18)16-17(19)21-10-22(16)12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24).
What are the key properties of 4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide?
4-[4-chloro-5-(3-chloro-4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 412.30 g/mol, XLogP of 3.89, 5 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-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10179876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).