5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide

C10H14ClNO4S3 — CID 9467623

IUPAC5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide
SMILESCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S3/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/t8-/m1/s1
InChIKeyHVHYAUPZRFESTD-MRVPVSSYSA-N
MW343.88 g/mol
LogP1.60
Rot. Bonds4

About 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide

5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide (PubChem CID 9467623) has the molecular formula C10H14ClNO4S3 and a molecular weight of 343.88 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide
PubChem CID9467623
Molecular FormulaC10H14ClNO4S3
Molecular Weight343.88 g/mol
Exact Mass342.98
IUPAC Name5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide
SMILESCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S3/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/t8-/m1/s1
InChIKeyHVHYAUPZRFESTD-MRVPVSSYSA-N
XLogP1.60
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide (CID 9467623) is 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide is CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide?
The InChIKey is HVHYAUPZRFESTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClNO4S3/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/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide?
5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide has a molecular weight of 343.88 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 9467623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).