2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide

C16H18ClN5O3S — CID 129331114

IUPAC2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCn1cncc1[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)CCO1
InChIInChI=1S/C16H18ClN5O3S/c1-21-10-18-9-12(21)13-8-11(5-7-25-13)20-26(23,24)16-15(17)19-14-4-2-3-6-22(14)16/h2-4,6,9-11,13,20H,5,7-8H2,1H3/t11-,13+/m0/s1
InChIKeyIXAQEGFNMDXIOS-WCQYABFASA-N
MW395.87 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 129331114) has the molecular formula C16H18ClN5O3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID129331114
Molecular FormulaC16H18ClN5O3S
Molecular Weight395.87 g/mol
Exact Mass395.08
IUPAC Name2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCn1cncc1[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)CCO1
InChIInChI=1S/C16H18ClN5O3S/c1-21-10-18-9-12(21)13-8-11(5-7-25-13)20-26(23,24)16-15(17)19-14-4-2-3-6-22(14)16/h2-4,6,9-11,13,20H,5,7-8H2,1H3/t11-,13+/m0/s1
InChIKeyIXAQEGFNMDXIOS-WCQYABFASA-N
XLogP1.92
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331112
2-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812790
2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
CID 129341065
2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
CID 128967939
N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333164
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333162
(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129328384
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide
CID 129350445
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 129005299
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 129331114) is 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide is Cn1cncc1[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn23)CCO1.
What is the InChIKey of 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is IXAQEGFNMDXIOS-WCQYABFASA-N. The full InChI is InChI=1S/C16H18ClN5O3S/c1-21-10-18-9-12(21)13-8-11(5-7-25-13)20-26(23,24)16-15(17)19-14-4-2-3-6-22(14)16/h2-4,6,9-11,13,20H,5,7-8H2,1H3/t11-,13+/m0/s1.
What are the key properties of 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 395.87 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 129331114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).