3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

C15H11Cl2N3O2S — CID 72547026

IUPAC3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-7-12(17)9-15(8-11)23(21,22)19-13-1-3-14(4-2-13)20-6-5-18-10-20/h1-10,19H
InChIKeyIXVQEZZFBBXSMB-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.98
Rot. Bonds4

About 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (PubChem CID 72547026) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
PubChem CID72547026
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-7-12(17)9-15(8-11)23(21,22)19-13-1-3-14(4-2-13)20-6-5-18-10-20/h1-10,19H
InChIKeyIXVQEZZFBBXSMB-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (CID 72547026) is 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is IXVQEZZFBBXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c16-11-7-12(17)9-15(8-11)23(21,22)19-13-1-3-14(4-2-13)20-6-5-18-10-20/h1-10,19H.
What are the key properties of 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 72547026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).