4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

C14H19N3O5S2 — CID 9186594

IUPAC4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2nnc(S(C)(=O)=O)o2)C(C)C)cc1
InChIInChI=1S/C14H19N3O5S2/c1-9(2)12(13-15-16-14(22-13)23(4,18)19)17-24(20,21)11-7-5-10(3)6-8-11/h5-9,12,17H,1-4H3/t12-/m0/s1
InChIKeyIDVJUDGBRZWPRH-LBPRGKRZSA-N
MW373.46 g/mol
LogP1.46
Rot. Bonds6

About 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 9186594) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
PubChem CID9186594
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC Name4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2nnc(S(C)(=O)=O)o2)C(C)C)cc1
InChIInChI=1S/C14H19N3O5S2/c1-9(2)12(13-15-16-14(22-13)23(4,18)19)17-24(20,21)11-7-5-10(3)6-8-11/h5-9,12,17H,1-4H3/t12-/m0/s1
InChIKeyIDVJUDGBRZWPRH-LBPRGKRZSA-N
XLogP1.46
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide (CID 9186594) is 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2nnc(S(C)(=O)=O)o2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is IDVJUDGBRZWPRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c1-9(2)12(13-15-16-14(22-13)23(4,18)19)17-24(20,21)11-7-5-10(3)6-8-11/h5-9,12,17H,1-4H3/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 373.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 9186594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).