4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide

C17H18N4O4S — CID 97416382

IUPAC4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(=O)n(C)c3)no2)cc1
InChIInChI=1S/C17H18N4O4S/c1-11-4-7-14(8-5-11)26(23,24)20-12(2)17-18-16(19-25-17)13-6-9-15(22)21(3)10-13/h4-10,12,20H,1-3H3/t12-/m1/s1
InChIKeyKBBZFIFPLSYOFW-GFCCVEGCSA-N
MW374.42 g/mol
LogP1.78
Rot. Bonds5

About 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide

4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 97416382) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID97416382
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(=O)n(C)c3)no2)cc1
InChIInChI=1S/C17H18N4O4S/c1-11-4-7-14(8-5-11)26(23,24)20-12(2)17-18-16(19-25-17)13-6-9-15(22)21(3)10-13/h4-10,12,20H,1-3H3/t12-/m1/s1
InChIKeyKBBZFIFPLSYOFW-GFCCVEGCSA-N
XLogP1.78
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 97416382) is 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(=O)n(C)c3)no2)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is KBBZFIFPLSYOFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11-4-7-14(8-5-11)26(23,24)20-12(2)17-18-16(19-25-17)13-6-9-15(22)21(3)10-13/h4-10,12,20H,1-3H3/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 97416382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).