N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide

C15H23NO4S2 — CID 18573643

IUPACN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H23NO4S2/c1-12(2)13-5-7-14(8-6-13)22(19,20)16(4)15(3)9-10-21(17,18)11-15/h5-8,12H,9-11H2,1-4H3
InChIKeyOOBMUNHFJVFSRW-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide

N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 18573643) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID18573643
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H23NO4S2/c1-12(2)13-5-7-14(8-6-13)22(19,20)16(4)15(3)9-10-21(17,18)11-15/h5-8,12H,9-11H2,1-4H3
InChIKeyOOBMUNHFJVFSRW-UHFFFAOYSA-N
XLogP2.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide (CID 18573643) is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is OOBMUNHFJVFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-12(2)13-5-7-14(8-6-13)22(19,20)16(4)15(3)9-10-21(17,18)11-15/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide?
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 18573643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).