5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide

C10H14BrNO4S3 — CID 51169212

IUPAC5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO4S3/c1-2-12(8-5-6-18(13,14)7-8)19(15,16)10-4-3-9(11)17-10/h3-4,8H,2,5-7H2,1H3
InChIKeyFTEMUDKALAXAJV-UHFFFAOYSA-N
MW388.33 g/mol
LogP1.71
Rot. Bonds4

About 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide

5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide (PubChem CID 51169212) has the molecular formula C10H14BrNO4S3 and a molecular weight of 388.33 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
PubChem CID51169212
Molecular FormulaC10H14BrNO4S3
Molecular Weight388.33 g/mol
Exact Mass386.93
IUPAC Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO4S3/c1-2-12(8-5-6-18(13,14)7-8)19(15,16)10-4-3-9(11)17-10/h3-4,8H,2,5-7H2,1H3
InChIKeyFTEMUDKALAXAJV-UHFFFAOYSA-N
XLogP1.71
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide (CID 51169212) is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is FTEMUDKALAXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S3/c1-2-12(8-5-6-18(13,14)7-8)19(15,16)10-4-3-9(11)17-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 388.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 51169212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).