2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C9H13ClN2O4S3 — CID 43615154

IUPAC2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H13ClN2O4S3/c1-6-8(17-9(10)11-6)19(15,16)12-7-2-4-18(13,14)5-3-7/h7,12H,2-5H2,1H3
InChIKeyFAENSUKKKZEEBE-UHFFFAOYSA-N
MW344.87 g/mol
LogP0.96
Rot. Bonds3

About 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43615154) has the molecular formula C9H13ClN2O4S3 and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43615154
Molecular FormulaC9H13ClN2O4S3
Molecular Weight344.87 g/mol
Exact Mass343.97
IUPAC Name2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H13ClN2O4S3/c1-6-8(17-9(10)11-6)19(15,16)12-7-2-4-18(13,14)5-3-7/h7,12H,2-5H2,1H3
InChIKeyFAENSUKKKZEEBE-UHFFFAOYSA-N
XLogP0.96
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43615154) is 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is FAENSUKKKZEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S3/c1-6-8(17-9(10)11-6)19(15,16)12-7-2-4-18(13,14)5-3-7/h7,12H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 344.87 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxothian-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43615154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).