3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide

C16H13Cl2N3O2S — CID 72547282

IUPAC3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-19-6-7-21(11)15-4-2-14(3-5-15)20-24(22,23)16-9-12(17)8-13(18)10-16/h2-10,20H,1H3
InChIKeyLXIVCWUSTWHNJI-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.29
Rot. Bonds4

About 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 72547282) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID72547282
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-19-6-7-21(11)15-4-2-14(3-5-15)20-24(22,23)16-9-12(17)8-13(18)10-16/h2-10,20H,1H3
InChIKeyLXIVCWUSTWHNJI-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.29
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-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide (CID 72547282) is 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide is Cc1nccn1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is LXIVCWUSTWHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-11-19-6-7-21(11)15-4-2-14(3-5-15)20-24(22,23)16-9-12(17)8-13(18)10-16/h2-10,20H,1H3.
What are the key properties of 3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.29, 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-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 72547282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).