2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide

C16H20ClN3O4S — CID 129341065

IUPAC2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c1
InChIInChI=1S/C16H20ClN3O4S/c1-20-10-18-9-14(20)15-7-11(5-6-24-15)19-25(21,22)16-8-12(23-2)3-4-13(16)17/h3-4,8-11,15,19H,5-7H2,1-2H3/t11-,15-/m0/s1
InChIKeyYGYCGYNSYFATRJ-NHYWBVRUSA-N
MW385.87 g/mol
LogP2.28
Rot. Bonds5

About 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide

2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide (PubChem CID 129341065) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
PubChem CID129341065
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c1
InChIInChI=1S/C16H20ClN3O4S/c1-20-10-18-9-14(20)15-7-11(5-6-24-15)19-25(21,22)16-8-12(23-2)3-4-13(16)17/h3-4,8-11,15,19H,5-7H2,1-2H3/t11-,15-/m0/s1
InChIKeyYGYCGYNSYFATRJ-NHYWBVRUSA-N
XLogP2.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide (CID 129341065) is 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide?
The InChIKey is YGYCGYNSYFATRJ-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-20-10-18-9-14(20)15-7-11(5-6-24-15)19-25(21,22)16-8-12(23-2)3-4-13(16)17/h3-4,8-11,15,19H,5-7H2,1-2H3/t11-,15-/m0/s1.
What are the key properties of 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide?
2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 129341065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).