4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

C18H13ClN4O2S — CID 15944833

IUPAC4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O2S/c19-14-5-7-16(8-6-14)26(24,25)22-15-4-1-3-13(11-15)17-12-23-10-2-9-20-18(23)21-17/h1-12,22H
InChIKeyIZWOKUYAVQSMKE-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (PubChem CID 15944833) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
PubChem CID15944833
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O2S/c19-14-5-7-16(8-6-14)26(24,25)22-15-4-1-3-13(11-15)17-12-23-10-2-9-20-18(23)21-17/h1-12,22H
InChIKeyIZWOKUYAVQSMKE-UHFFFAOYSA-N
XLogP3.85
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (CID 15944833) is 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The InChIKey is IZWOKUYAVQSMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-14-5-7-16(8-6-14)26(24,25)22-15-4-1-3-13(11-15)17-12-23-10-2-9-20-18(23)21-17/h1-12,22H.
What are the key properties of 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide has a molecular weight of 384.85 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 15944833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).