2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide

C10H14ClNO6S4 — CID 75440460

IUPAC2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C10H14ClNO6S4/c1-10(3-4-21(15,16)6-10)12-22(17,18)7-5-8(19-9(7)11)20(2,13)14/h5,12H,3-4,6H2,1-2H3
InChIKeyRLSSVNQBZHOJKX-UHFFFAOYSA-N
MW407.94 g/mol
LogP0.66
Rot. Bonds4

About 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide

2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide (PubChem CID 75440460) has the molecular formula C10H14ClNO6S4 and a molecular weight of 407.94 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide
PubChem CID75440460
Molecular FormulaC10H14ClNO6S4
Molecular Weight407.94 g/mol
Exact Mass406.94
IUPAC Name2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C10H14ClNO6S4/c1-10(3-4-21(15,16)6-10)12-22(17,18)7-5-8(19-9(7)11)20(2,13)14/h5,12H,3-4,6H2,1-2H3
InChIKeyRLSSVNQBZHOJKX-UHFFFAOYSA-N
XLogP0.66
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide (CID 75440460) is 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide is CC1(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide?
The InChIKey is RLSSVNQBZHOJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO6S4/c1-10(3-4-21(15,16)6-10)12-22(17,18)7-5-8(19-9(7)11)20(2,13)14/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide?
2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide has a molecular weight of 407.94 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide is sourced from PubChem (CID 75440460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).