6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C18H19ClN4O4S — CID 46974519

IUPAC6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C18H19ClN4O4S/c1-11(2)22-28(25,26)13-5-6-16(27-3)14(8-13)21-18(24)15-10-23-9-12(19)4-7-17(23)20-15/h4-11,22H,1-3H3,(H,21,24)
InChIKeyDSMVSZQTRPCBCZ-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.94
Rot. Bonds6

About 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46974519) has the molecular formula C18H19ClN4O4S and a molecular weight of 422.89 g/mol. Its IUPAC name is 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46974519
Molecular FormulaC18H19ClN4O4S
Molecular Weight422.89 g/mol
Exact Mass422.08
IUPAC Name6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C18H19ClN4O4S/c1-11(2)22-28(25,26)13-5-6-16(27-3)14(8-13)21-18(24)15-10-23-9-12(19)4-7-17(23)20-15/h4-11,22H,1-3H3,(H,21,24)
InChIKeyDSMVSZQTRPCBCZ-UHFFFAOYSA-N
XLogP2.94
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 24666791
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 46974519) is 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DSMVSZQTRPCBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S/c1-11(2)22-28(25,26)13-5-6-16(27-3)14(8-13)21-18(24)15-10-23-9-12(19)4-7-17(23)20-15/h4-11,22H,1-3H3,(H,21,24).
What are the key properties of 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46974519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).