N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide

C13H19NO4S2 — CID 2963570

IUPACN,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H19NO4S2/c1-11-4-6-12(7-5-11)20(17,18)14(3)13(2)8-9-19(15,16)10-13/h4-7H,8-10H2,1-3H3
InChIKeyVBCGGXGGUSNJFB-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.19
Rot. Bonds3

About N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide

N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 2963570) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID2963570
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC NameN,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H19NO4S2/c1-11-4-6-12(7-5-11)20(17,18)14(3)13(2)8-9-19(15,16)10-13/h4-7H,8-10H2,1-3H3
InChIKeyVBCGGXGGUSNJFB-UHFFFAOYSA-N
XLogP1.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 2963570) is N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1.
What is the InChIKey of N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is VBCGGXGGUSNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-11-4-6-12(7-5-11)20(17,18)14(3)13(2)8-9-19(15,16)10-13/h4-7H,8-10H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2963570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).