5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline

C14H12ClN3O2S — CID 81175196

IUPAC5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H12ClN3O2S/c15-10-4-5-13(12(16)7-10)21(19,20)9-11-8-18-6-2-1-3-14(18)17-11/h1-8H,9,16H2
InChIKeyZAASPYMWNZPEPV-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.54
Rot. Bonds3

About 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline

5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline (PubChem CID 81175196) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
PubChem CID81175196
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H12ClN3O2S/c15-10-4-5-13(12(16)7-10)21(19,20)9-11-8-18-6-2-1-3-14(18)17-11/h1-8H,9,16H2
InChIKeyZAASPYMWNZPEPV-UHFFFAOYSA-N
XLogP2.54
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline?
The IUPAC name of 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline (CID 81175196) is 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline.
What is the SMILES notation for 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline?
The canonical SMILES for 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline is Nc1cc(Cl)ccc1S(=O)(=O)Cc1cn2ccccc2n1.
What is the InChIKey of 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline?
The InChIKey is ZAASPYMWNZPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-10-4-5-13(12(16)7-10)21(19,20)9-11-8-18-6-2-1-3-14(18)17-11/h1-8H,9,16H2.
What are the key properties of 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline?
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline has a molecular weight of 321.79 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline is sourced from PubChem (CID 81175196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).